NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 V 4.0730 8.0393 120.3939 62.1394 32.6146 174.8139 5 V 3.5959 7.9436 122.8872 59.3123 31.3432 174.4557 6 P 4.6129 0.0000 0.0000 63.7520 32.1068 178.5338 7 D 4.6202 7.8464 118.9603 55.7234 39.6045 177.7355 8 Q 4.2429 8.0146 120.6046 58.2989 28.9000 177.3849 9 R 3.9700 7.9747 118.9568 59.9418 30.2520 179.0034 10 S 4.6251 8.1128 115.4020 60.9629 62.8457 176.7936 11 K 4.3537 7.7135 121.4360 59.5458 32.1038 178.8941 12 F 4.1040 7.9795 120.7724 60.8994 39.5283 176.6705 13 E 4.0971 8.9212 117.5609 58.3909 29.4420 177.8517 14 N 4.8634 8.1629 116.5345 52.3618 38.1658 174.3069 15 E 4.1601 8.2341 122.8531 55.8084 30.4270 177.1033 16 E 3.8909 8.5435 123.5612 57.4095 29.6476 178.1702 17 F 4.1146 7.1349 121.4740 60.7251 39.1239 176.8858 18 F 4.0197 6.8489 118.4711 59.9150 38.7712 177.5697 19 R 3.8407 7.7930 114.2213 59.3951 29.3420 178.4340 20 K 4.0565 7.7622 118.2138 58.6305 32.0443 177.8805 21 L 4.4078 7.2321 113.9206 55.2823 45.3415 177.6494 22 S 4.3651 8.1587 115.4665 57.0993 61.5116 171.5310 23 R 4.9496 6.9609 123.6651 54.9378 34.9656 173.6137 24 E 4.0940 8.7592 118.6673 57.0320 29.7265 176.2258 25 C 4.9983 8.4918 120.2921 57.3306 33.0089 173.6881 26 E 4.5507 8.7929 120.9229 56.7180 30.3466 175.9969 27 I 5.1507 8.6935 116.2765 59.3356 41.9183 174.0464 28 K 5.3585 8.1882 119.9225 55.1824 36.1034 174.8985 29 Y 4.2722 8.6326 123.7014 57.8767 39.8399 174.9928 30 T 3.9501 7.0683 122.7804 63.2245 69.0414 174.4068 31 G 3.9755 8.0384 114.0858 45.1684 0.0000 173.4990 32 F 4.5536 8.2593 118.1645 55.7228 37.3377 176.4967 33 R 4.4367 8.6306 125.0036 58.3571 30.1743 177.1204 34 D 4.5739 8.1700 114.8165 54.0981 39.8344 175.8108 35 R 4.2388 8.6095 122.3671 55.0243 30.8538 173.8280 36 P 4.3087 0.0000 0.0000 61.4805 32.7074 176.4913 37 H 4.1336 9.1839 116.2238 58.3553 27.9071 176.7103 38 E 3.8573 7.9826 120.3039 58.8715 29.1623 178.4888 39 E 4.1150 8.5110 119.4593 58.8677 29.2715 179.0502 40 R 3.8471 8.1816 118.2576 59.2304 29.3064 178.7740 41 Q 3.9212 7.7995 118.0232 59.0911 29.1504 178.0366 42 T 3.8867 7.6383 118.5447 65.9016 68.4818 176.6849 43 R 4.4442 8.3878 122.3925 58.8294 30.0376 178.6201 44 F 3.6275 8.1676 116.7049 60.3202 38.9335 177.6927 45 Q 3.8243 8.2652 117.4319 59.4243 28.7635 178.2043 46 N 4.3150 8.3720 119.5571 55.0382 37.2910 176.6684 47 A 4.7572 7.9133 124.1193 53.8520 18.5973 179.2788 48 C 4.0410 7.6826 115.3065 62.7164 28.1757 175.9990 49 R 4.1819 7.9335 118.0549 58.1073 29.7929 175.9328 50 D 4.5713 7.3630 121.5925 51.1647 38.4411 177.1666 51 G 3.0904 7.7966 111.8035 47.3046 0.0000 170.7377 52 R 4.3647 7.9450 122.4277 53.8518 28.5690 175.2514 53 S 4.5452 8.0897 117.1747 57.7191 64.6047 171.9273 54 E 4.7260 8.1278 125.4310 54.6050 31.8942 174.6962 55 I 4.8155 7.8756 122.8103 59.7710 42.0260 173.0170 56 A 4.8868 8.1364 125.7544 50.2468 23.4317 174.8131 57 F 4.7343 8.3431 117.2875 56.5465 39.7754 177.7839 58 V 3.5669 8.4529 124.0802 65.9481 31.6642 177.0792 59 A 4.1838 8.2615 121.2630 54.5537 18.5544 177.4565 60 T 4.7160 7.7294 111.5287 61.6867 71.2353 175.1290 61 G 4.0016 8.6505 111.7540 46.6404 0.0000 174.0042 62 T 4.3509 7.7729 117.8227 63.5721 69.7135 173.1819 63 N 5.1371 8.6365 120.8994 51.1878 40.6082 173.4413 64 L 4.8215 8.7861 121.7531 52.8992 45.0515 175.6515 65 S 4.6915 8.5331 118.5362 57.0756 64.6118 173.1738 66 L 4.6310 8.0946 120.4930 54.8755 44.3234 174.5858 67 Q 4.5293 8.6388 117.9976 53.7500 31.4609 174.2331 68 F 4.6442 7.6365 120.6879 57.6194 39.3130 176.4346 69 F 4.9534 7.0716 127.4336 55.0737 39.9285 171.8121 70 P 4.2652 0.0000 0.0000 60.9417 32.7578 177.0048 71 A 3.7019 8.9958 126.0275 53.8232 18.3608 177.9244 72 S 4.5157 6.9459 106.3694 57.7977 64.3321 174.9622 73 W 4.0528 8.2831 134.0430 58.1787 30.6849 176.1785 74 Q 4.6517 8.3982 118.9978 55.6913 29.3418 176.6148 75 G 3.9325 8.1097 107.4354 45.3586 0.0000 173.2373 76 E 4.6162 8.4832 118.5216 55.7369 30.5278 178.1520 77 Q 4.2892 7.8068 118.3951 56.9959 28.8683 175.4057 78 R 4.5038 8.2938 115.7230 55.4195 31.8969 175.9787 79 Q 4.1506 8.3483 115.9806 56.7978 28.7311 176.0296 80 T 4.0644 7.5412 113.5948 61.8566 67.9099 172.9635 81 P 4.5641 0.0000 0.0000 62.0931 33.2457 174.7340 82 S 4.6483 8.7090 113.0026 57.5429 62.6870 174.8274 83 R 3.9429 9.0124 128.4670 59.7527 29.5394 178.0428 84 E 4.4383 8.3338 118.9715 58.8418 29.2326 178.9475 85 Y 4.1898 8.2900 118.1851 59.7096 37.7098 177.3757 86 V 3.6288 6.9933 118.1034 62.6466 31.5692 176.1918 87 D 4.6383 7.5186 117.5100 54.1457 39.4635 176.9412 88 L 4.8030 7.4604 117.6895 54.8494 42.2720 178.0193 89 E 4.3516 7.8714 121.6508 58.6687 29.4996 178.2282 90 R 4.0476 7.3676 116.8334 56.5373 30.6507 177.9207 91 E 4.1122 8.1889 119.8406 56.8316 28.6423 178.1807 92 A 4.2064 9.2857 120.7285 52.8657 18.6260 177.9578 93 G 4.2576 8.3524 105.7020 45.8334 0.0000 173.4591 94 K 5.0559 7.8146 116.9062 54.2602 36.3330 174.9884 95 V 4.8679 8.7874 120.7038 61.4964 33.7390 174.1359 96 Y 5.1901 8.3821 124.6306 55.5270 41.6334 173.9148 97 L 4.7984 8.7565 119.7399 53.7581 44.2222 175.4442 98 K 5.3773 8.5649 118.9004 55.4780 35.5694 175.1500 99 A 4.8150 9.2350 124.4548 50.1924 23.3118 173.6595 100 P 4.7807 0.0000 0.0000 62.1759 32.0947 174.4786 101 M 4.7315 8.4645 125.1321 53.7538 34.4593 174.4621 102 I 4.8020 8.3394 119.0649 59.7680 39.5789 175.0872 103 L 4.7364 7.9444 124.1652 52.7461 44.4548 177.1628 104 N 4.7613 8.6489 117.3482 52.2745 36.6065 172.8581 105 G 3.9076 7.7034 116.5442 45.1523 0.0000 172.5339 106 V 4.7103 8.0376 120.2475 61.2450 36.5101 173.1323 107 C 4.7239 8.6772 117.0930 58.0834 29.8978 173.4743 108 V 3.9821 8.1097 119.6637 59.7053 35.1822 174.1635 109 I 4.5044 8.2226 123.1671 59.7501 39.4012 173.9395 110 W 4.6272 8.8349 135.0000 55.6989 32.4492 175.4430 111 K 5.9257 6.9100 124.1040 55.7158 32.6193 175.9569 112 G 3.5717 7.0177 116.2443 46.0944 0.0000 169.4302 113 W 5.7511 7.7625 116.9606 55.0317 32.3254 173.8420 114 I 4.9240 8.5772 112.8441 59.9512 40.5306 174.0223 115 D 4.9911 8.9552 123.5242 53.5237 42.0988 176.9026 116 L 3.8289 8.0329 123.9246 57.5062 42.2789 177.4784 117 H 4.4489 7.7336 110.2444 56.8005 29.4436 175.3488 118 R 4.2487 6.9311 118.9318 53.9925 30.5233 176.8193 119 L 4.6886 8.3490 128.2300 55.5412 40.5625 176.1069 120 D 5.3447 6.9887 112.0032 52.5854 39.1061 178.6153 121 G 3.8401 7.8461 109.9619 46.6798 0.0000 172.8066 122 M 4.9301 6.0064 120.6527 53.8528 36.6501 175.8315 123 G 3.8190 8.7465 110.9492 45.2119 0.0000 171.7306 124 C 4.8341 8.6051 124.5298 58.2780 29.7477 172.5209 125 L 5.1233 8.3529 124.8094 53.4182 44.5356 175.2542 126 E 4.8011 8.4717 122.8170 55.1857 34.6624 174.7915 127 F 4.1878 9.0875 122.8560 56.9465 38.4250 174.9239 128 D 4.5841 8.1832 119.0232 54.2061 43.1331 174.7897 129 E 4.0874 8.1602 119.0093 56.0299 29.8060 177.7149 130 E 3.7967 8.8861 123.5153 59.2256 29.6837 178.9090 131 R 4.1558 7.9613 115.4478 57.7725 29.6184 178.4668 132 A 3.9562 8.5726 123.5400 55.2455 18.6338 179.4676 133 Q 3.9280 7.6161 115.0677 59.5573 28.6151 178.8195 134 Q 4.1142 7.9792 119.8748 58.6244 28.9345 177.8612 135 E 3.9710 8.7256 119.9800 58.9182 29.2937 178.6672 136 D 4.2994 8.0344 118.2743 57.1403 41.3804 177.7416 137 A 4.1676 7.3787 118.8027 55.1072 17.8741 178.9444 138 L 4.2563 8.0611 115.0289 55.5104 41.6842 178.8651 139 A 4.2424 7.9712 121.9299 54.0664 18.6845 178.0718 140 Q 4.1243 6.9066 118.1412 56.0316 29.8961 175.8856 141 Q 4.2001 8.5149 121.3361 56.2550 28.9072 175.8676 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 4 V 8.04 4.07 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 1.05 0.00 0.00 0.94 0.00 0.00 5 V 7.94 3.60 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.01 0.00 0.00 6 P 0.00 4.61 0.00 2.30 2.34 0.00 3.70 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 2.08 2.03 0.00 7 D 7.85 4.62 0.00 3.00 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 8 Q 8.01 4.24 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.87 0.00 0.00 0.00 0.00 0.00 2.71 2.63 0.00 9 R 7.97 3.97 0.00 1.88 1.99 0.00 3.21 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.77 0.00 10 S 8.11 4.63 0.00 4.01 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 11 K 7.71 4.35 0.00 2.10 2.14 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.80 1.47 7.81 12 F 7.98 4.10 0.00 2.99 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 13 E 8.92 4.10 0.00 2.31 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.36 0.00 14 N 8.16 4.86 0.00 3.03 3.10 0.00 0.00 6.79 7.48 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 15 E 8.23 4.16 0.00 1.93 1.60 0.00 0.00 0.00 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 2.48 0.00 16 E 8.54 3.89 0.00 1.93 1.90 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 2.34 2.30 0.00 17 F 7.13 4.11 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.85 4.02 0.00 2.96 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.79 3.84 0.00 1.91 2.04 0.00 3.22 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.62 0.00 20 K 7.76 4.06 0.00 1.72 1.89 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.59 7.81 21 L 7.23 4.41 0.00 1.56 1.48 1.09 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.16 4.37 0.00 4.06 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 6.96 4.95 0.00 1.92 1.69 0.00 3.14 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 24 E 8.76 4.09 0.00 2.03 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 2.26 2.35 0.00 25 C 8.49 5.00 0.00 2.92 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 26 E 8.79 4.55 0.00 1.92 1.85 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 2.40 2.26 0.00 27 I 8.69 5.15 1.75 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.79 0.86 0.00 0.00 28 K 8.19 5.36 0.00 1.93 1.88 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.19 7.81 29 Y 8.63 4.27 0.00 2.93 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 30 T 7.07 3.95 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 0.94 0.00 0.00 31 G 8.04 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 0.00 0.00 0.00 32 F 8.26 4.55 0.00 3.19 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 33 R 8.63 4.44 0.00 1.82 2.03 0.00 3.09 0.00 0.00 4.01 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 34 D 8.17 4.57 0.00 2.85 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 35 R 8.61 4.24 0.00 1.85 2.07 0.00 3.31 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.66 0.00 36 P 0.00 4.31 0.00 2.22 2.04 0.00 3.69 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 37 H 9.18 4.13 0.00 3.38 3.59 0.00 5.47 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 38 E 7.98 3.86 0.00 2.19 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 0.00 2.34 2.64 0.00 39 E 8.51 4.12 0.00 2.33 2.34 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 2.35 2.41 0.00 40 R 8.18 3.85 0.00 1.95 2.18 0.00 2.72 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.49 0.00 41 Q 7.80 3.92 0.00 2.30 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.92 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 42 T 7.64 3.89 4.40 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 1.23 0.00 0.00 43 R 8.39 4.44 0.00 2.02 2.10 0.00 3.29 0.00 0.00 3.41 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.52 0.00 44 F 8.17 3.63 0.00 3.32 3.04 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 0.00 45 Q 8.27 3.82 0.00 2.36 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.59 2.39 0.00 46 N 8.37 4.31 0.00 2.92 3.16 0.00 0.00 6.98 7.62 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 47 A 7.91 4.76 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 48 C 7.68 4.04 0.00 2.64 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 7.93 4.18 0.00 1.97 2.16 0.00 2.72 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 50 D 7.36 4.57 0.00 2.77 2.63 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 51 G 7.80 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 0.00 0.00 0.00 52 R 7.94 4.36 0.00 1.42 1.71 0.00 2.92 0.00 0.00 2.66 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.08 0.00 53 S 8.09 4.55 0.00 4.25 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 54 E 8.13 4.73 0.00 1.61 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 55 I 7.88 4.82 1.77 0.00 0.00 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 1.16 1.67 0.53 0.00 0.00 56 A 8.14 4.89 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.34 4.73 0.00 3.13 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.45 3.57 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 0.71 0.00 0.00 0.94 0.00 0.00 59 A 8.26 4.18 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 60 T 7.73 4.72 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 61 G 8.65 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.77 4.35 4.53 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 1.43 0.00 0.00 63 N 8.64 5.14 0.00 2.57 2.69 0.00 0.00 5.82 7.76 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 64 L 8.79 4.82 0.00 1.20 1.30 1.34 1.23 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 65 S 8.53 4.69 0.00 3.75 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 66 L 8.09 4.63 0.00 1.66 1.51 0.88 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.64 4.53 0.00 1.82 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.09 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 68 F 7.64 4.64 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 69 F 7.07 4.95 0.00 2.98 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 70 P 0.00 4.27 0.00 1.92 1.67 0.00 3.66 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 71 A 9.00 3.70 1.14 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 0.00 0.00 72 S 6.95 4.52 0.00 3.77 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 73 W 8.28 4.05 0.00 3.25 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 74 Q 8.40 4.65 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.50 0.00 0.00 0.00 0.00 0.00 2.44 2.32 0.00 75 G 8.11 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 76 E 8.48 4.62 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 2.21 2.28 0.00 77 Q 7.81 4.29 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.54 6.99 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 78 R 8.29 4.50 0.00 1.90 1.88 0.00 3.13 0.00 0.00 3.40 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 79 Q 8.35 4.15 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.96 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 80 T 7.54 4.06 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 1.29 0.00 0.00 81 P 0.00 4.56 0.00 2.59 2.27 0.00 3.87 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 2.11 2.10 0.00 82 S 8.71 4.65 0.00 4.20 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 83 R 9.01 3.94 0.00 2.02 1.99 0.00 3.25 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 84 E 8.33 4.44 0.00 2.35 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.17 0.00 85 Y 8.29 4.19 0.00 3.18 3.42 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 86 V 6.99 3.63 1.76 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 0.80 0.00 0.00 -0.26 0.00 0.00 87 D 7.52 4.64 0.00 2.94 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.46 4.80 0.00 1.92 1.82 0.90 0.37 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 89 E 7.87 4.35 0.00 2.21 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 2.42 2.41 0.00 90 R 7.37 4.05 0.00 1.65 1.96 0.00 3.35 0.00 0.00 3.12 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 91 E 8.19 4.11 0.00 2.11 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 92 A 9.29 4.21 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 93 G 8.35 4.26 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 0.00 94 K 7.81 5.06 0.00 1.89 2.07 0.00 1.47 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.70 1.53 7.81 95 V 8.79 4.87 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 1.00 0.00 0.00 1.38 0.00 0.00 96 Y 8.38 5.19 0.00 3.39 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 97 L 8.76 4.80 0.00 1.39 0.87 1.01 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.56 5.38 0.00 1.85 1.97 0.00 1.71 0.00 0.00 1.88 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.51 7.81 99 A 9.24 4.82 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 0.00 100 P 0.00 4.78 0.00 2.11 2.30 0.00 3.82 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 1.98 1.99 0.00 101 M 8.46 4.73 0.00 2.20 1.96 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 2.52 2.49 0.00 102 I 8.34 4.80 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.80 0.99 0.00 0.00 103 L 7.94 4.74 0.00 1.96 1.78 1.01 1.22 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 0.00 104 N 8.65 4.76 0.00 2.68 2.78 0.00 0.00 6.72 7.99 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 0.00 105 G 7.70 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.04 4.71 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.17 0.00 0.00 107 C 8.68 4.72 0.00 2.98 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 0.00 108 V 8.11 3.98 0.67 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 0.77 0.00 0.00 0.85 0.00 0.00 109 I 8.22 4.50 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.43 0.98 0.00 0.00 110 W 8.83 4.63 0.00 3.58 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 0.00 111 K 6.91 5.93 0.00 1.93 1.86 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.22 7.81 112 G 7.02 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 W 7.76 5.75 0.00 3.37 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 0.00 114 I 8.58 4.92 2.06 0.00 0.00 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 1.34 0.76 0.96 0.00 0.00 115 D 8.96 4.99 0.00 2.90 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 0.00 116 L 8.03 3.83 0.00 1.53 1.64 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 117 H 7.73 4.45 0.00 3.35 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 6.93 4.25 0.00 1.88 1.73 0.00 3.05 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.73 0.00 119 L 8.35 4.69 0.00 2.02 2.18 1.08 0.80 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 0.00 120 D 6.99 5.34 0.00 2.64 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 0.00 121 G 7.85 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 0.00 0.00 0.00 122 M 6.01 4.93 0.00 1.71 1.56 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 2.54 2.61 0.00 123 G 8.75 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 0.00 124 C 8.61 4.83 0.00 2.88 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 0.00 125 L 8.35 5.12 0.00 1.69 1.56 1.19 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.47 4.80 0.00 2.05 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 2.41 2.30 0.00 127 F 9.09 4.19 0.00 2.67 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 0.00 128 D 8.18 4.58 0.00 2.59 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.16 4.09 0.00 2.13 1.85 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 2.35 2.20 0.00 130 E 8.89 3.80 0.00 2.17 2.19 0.00 0.00 0.00 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 2.36 0.00 131 R 7.96 4.16 0.00 2.07 2.23 0.00 3.10 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 132 A 8.57 3.96 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 0.00 133 Q 7.62 3.93 0.00 2.31 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 134 Q 7.98 4.11 0.00 2.30 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.94 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 135 E 8.73 3.97 0.00 2.23 2.34 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 2.32 2.59 0.00 136 D 8.03 4.30 0.00 2.91 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 0.00 137 A 7.38 4.17 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 0.00 138 L 8.06 4.26 0.00 1.72 1.71 0.93 0.72 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 0.00 139 A 7.97 4.24 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 Q 6.91 4.12 0.00 2.24 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 141 Q 8.51 4.20 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.43 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00