NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3554 8.3049 120.3523 55.3314 33.0188 174.0577 2 K 4.2970 8.4755 118.3221 53.0153 33.4641 174.6632 3 T 4.2179 8.4649 114.7558 60.7133 70.7124 173.4867 4 F 4.1519 8.2020 124.2504 58.3062 40.4919 173.7527 5 T 3.5078 5.7900 110.7237 60.8509 69.3697 172.7122 6 A 4.1187 8.7470 132.5581 51.7778 17.3662 176.4922 7 K 3.8778 8.3837 120.2230 56.9183 32.8168 176.5460 8 P 4.3163 0.0000 0.0000 65.6897 31.8754 177.5317 9 E 3.9996 8.2513 118.8325 58.9418 29.6921 176.8510 10 T 4.3544 7.0909 117.5703 62.1835 67.2673 173.9036 11 V 4.6576 7.7785 119.3975 59.3807 34.9840 173.5414 12 K 4.1730 8.0145 116.4955 53.2845 34.8664 174.0363 13 R 3.5733 8.2335 132.8687 56.8174 28.9793 175.0114 14 D 5.2808 8.4202 122.4635 52.1257 45.1371 174.7061 15 W 5.9398 8.2006 117.2850 54.6607 32.5600 174.7078 16 Y 5.4734 8.7315 120.0975 55.1125 42.4128 174.1873 17 V 5.0842 8.4754 120.0309 61.3821 35.3755 175.0021 18 V 4.5778 8.4410 126.0275 60.5271 34.5238 173.0977 19 D 4.6424 8.9561 126.4074 53.1055 41.3617 176.9105 20 A 4.6445 8.2030 133.7421 51.6387 18.2374 176.1005 21 T 4.3572 7.0189 121.6107 65.5173 70.0437 178.3286 22 G 3.6363 8.0536 113.0673 48.4153 0.0000 173.8738 23 K 3.9352 7.9032 118.0083 56.8193 32.5448 177.1589 24 T 4.2739 8.4054 117.5878 62.7083 69.0449 171.4733 25 L 3.6665 8.4613 130.0590 55.2691 43.3731 173.5196 26 G 4.4031 8.8466 117.4987 46.8484 0.0000 175.9046 27 R 4.0711 7.5766 118.0272 58.1043 30.0691 178.2366 28 L 3.9212 7.8309 120.2983 57.5378 41.7140 177.9915 29 A 3.9201 8.0155 120.0086 55.6766 18.1683 179.2114 30 T 3.8069 7.6738 110.9588 65.4874 67.1131 175.7441 31 E 4.0348 7.7198 119.5689 57.8213 29.4877 178.4804 32 L 3.8396 8.0286 119.2887 58.0595 41.8604 178.5718 33 A 3.6046 9.1236 120.9673 55.3544 18.0498 179.7049 34 R 3.8928 8.1244 116.4938 59.8305 30.3280 179.5324 35 R 4.0596 7.5943 117.1464 58.8977 29.7200 179.1184 36 L 3.8689 8.8688 120.1611 57.2068 41.7209 178.4784 37 R 4.1275 7.5009 116.4558 55.5732 30.5320 176.0121 38 G 3.7186 7.7404 105.3042 47.3524 0.0000 174.9018 39 K 4.0945 8.2546 117.6926 56.6515 31.6188 176.4471 40 H 4.9752 7.9981 109.4168 54.3511 29.5279 173.0679 41 K 4.7649 7.5413 119.7072 55.3639 35.3895 175.7378 42 A 4.3332 8.2698 118.8420 53.0438 16.6185 178.8139 43 E 4.2341 7.8952 116.4247 56.6430 29.9278 174.6321 44 Y 3.9575 8.1064 120.4115 60.1260 38.9069 176.5177 45 T 4.8289 7.8617 135.0000 61.9904 68.9457 171.6748 46 P 4.3152 0.0000 0.0000 64.9963 32.1474 177.8962 47 H 4.4952 7.4669 115.0193 57.2398 29.1323 175.4678 48 V 4.4087 8.1853 117.3490 60.6735 33.9881 173.9178 49 D 4.7310 8.4446 122.6422 52.3068 40.2408 176.3074 50 T 4.4491 8.3554 113.0431 61.0407 69.1990 174.5048 51 G 3.7962 7.5291 108.4075 46.1420 0.0000 173.3946 52 D 4.7202 8.3624 120.7767 53.2179 42.7515 176.1953 53 Y 3.9433 8.0216 119.8929 57.8984 38.4595 174.5505 54 I 5.0766 8.3104 125.1938 58.8540 41.5377 173.9595 55 I 4.7699 8.4937 122.4717 59.2124 40.0515 176.4410 56 V 4.0987 7.8649 119.4723 61.2777 32.5684 173.8819 57 L 4.6210 8.5714 120.9312 56.0245 46.2032 176.4197 58 N 5.0651 7.7671 116.3147 52.3985 38.3871 176.1771 59 A 4.0462 7.8886 125.3934 55.1809 19.4222 179.7155 60 D 4.3722 8.2522 114.0464 56.1153 39.1155 177.5518 61 K 4.5763 7.6332 117.3387 55.7498 32.4003 176.5035 62 V 4.5295 7.7623 117.4571 60.3484 32.3930 175.1997 63 A 4.6338 8.2481 126.0375 50.7087 19.9750 178.6628 64 V 3.3442 8.3724 123.5426 63.7627 31.8086 173.9987 65 T 3.1284 7.5300 120.8999 62.2527 64.5687 172.3012 66 G 3.7450 7.3735 111.6577 45.8383 0.0000 170.1272 67 N 4.7466 8.3463 124.1585 53.5363 38.5643 176.3817 68 K 4.4944 7.6343 113.6248 55.9907 32.8247 177.7570 69 R 3.4337 7.8194 121.7562 59.3429 30.0966 177.6287 70 T 4.9196 7.5096 104.5933 61.4084 69.7599 173.5247 71 D 4.9269 7.8552 118.8512 54.4922 42.8379 177.1210 72 K 4.3627 8.0572 120.7431 56.3731 32.0416 174.9543 73 V 3.8295 7.4787 108.7367 62.4619 34.3646 174.3255 74 Y 3.7524 7.0336 115.7784 59.2319 34.7346 169.6388 75 Y 5.1973 7.5560 118.0319 57.2456 40.7328 174.7614 76 H 4.9233 8.5489 114.9457 55.1423 32.5253 172.3396 77 H 5.5795 9.0123 119.3758 53.5305 30.8913 172.5884 78 T 3.9393 8.8247 117.0636 65.5142 68.6834 174.0956 79 G 3.5500 7.5866 109.3838 45.0292 0.0000 172.3204 80 H 4.9309 7.6493 117.5730 54.9036 34.2054 175.7206 81 I 3.3471 7.4432 115.4493 59.9944 38.9703 176.6822 82 G 3.7952 8.9423 116.5738 49.0867 0.0000 173.5848 83 G 3.5216 8.0810 112.4232 45.0122 0.0000 173.2570 84 I 4.1255 7.3110 127.4300 60.7691 37.3930 174.2966 85 K 4.5382 9.0227 129.3551 55.0540 34.1494 176.0074 86 Q 4.4985 8.6817 124.0997 53.9705 32.0004 174.8663 87 A 5.3533 7.1837 126.6126 52.0976 21.9961 176.6024 88 T 4.0778 8.0188 116.1133 62.1901 68.5078 174.9405 89 F 4.0286 9.2073 127.9554 61.8506 38.9870 176.9772 90 E 3.9889 7.9396 116.3139 59.9044 29.7992 178.6878 91 E 4.1254 8.0338 117.4582 59.2561 29.4959 178.7876 92 M 3.8890 8.2823 118.9505 58.2062 31.8862 178.4791 93 I 3.6895 7.2203 119.2588 63.4022 38.5905 177.1303 94 A 4.2711 7.1829 122.9623 50.0201 16.5843 175.6153 95 R 4.3792 8.7314 114.1063 55.0356 30.6439 177.9594 96 R 3.4464 7.5746 118.4426 56.7966 26.2078 175.0234 97 P 4.3389 0.0000 0.0000 65.0774 30.8129 178.0668 98 E 3.9809 8.2417 118.4472 59.0214 29.3206 178.1875 99 R 4.1936 7.5993 115.7524 56.3093 30.2913 178.4000 100 V 3.6482 7.5689 119.3574 65.9381 31.4322 177.8011 101 I 3.9666 7.6718 117.4293 63.3055 37.4671 177.4926 102 E 4.2364 7.6756 121.4705 58.7789 29.3943 177.7953 103 I 4.3299 8.0057 111.0060 61.9640 37.9995 176.9982 104 A 3.9851 7.7662 121.2383 53.7184 18.9286 178.6771 105 V 4.1365 7.6101 116.0664 62.3179 31.1241 178.0073 106 K 4.2787 7.8648 120.1695 59.5437 31.9141 178.9463 107 G 3.9025 7.6048 104.6204 47.7728 0.0000 175.2016 108 M 4.2384 7.2244 119.8571 57.0830 32.5270 177.3452 109 L 4.1902 7.6414 118.1510 54.0518 42.8251 175.6338 110 P 4.7195 0.0000 0.0000 62.9755 34.4672 175.3238 111 K 3.7585 8.5956 117.2259 58.0187 30.6677 173.8838 112 G 4.3192 8.0832 105.8152 46.7324 0.0000 172.8773 113 P 4.3584 0.0000 0.0000 64.6555 31.4959 178.6234 114 L 4.1555 7.8330 118.9678 57.9760 41.9588 179.4209 115 G 4.2105 8.0908 106.9243 47.3530 0.0000 175.2555 116 R 3.9151 7.8023 118.9290 58.3414 29.8921 178.3474 117 A 4.0636 7.3923 119.4403 55.4623 18.6579 179.1864 118 M 4.1060 8.2025 117.3343 58.2069 31.9575 178.6680 119 F 3.8747 7.8190 120.7388 61.3823 39.3697 177.1676 120 R 4.3549 7.6524 116.2953 58.8271 30.0226 177.1631 121 K 4.6525 7.7871 117.3995 55.8391 32.0756 175.3846 122 L 5.0286 8.3109 120.9473 52.1302 43.5332 176.0106 123 K 4.7281 8.5592 124.9472 54.8497 34.8873 176.2995 124 V 4.0850 7.7991 116.6440 63.6052 33.2346 176.7076 125 Y 3.5316 7.4922 117.2339 58.7334 36.5852 170.4141 126 A 4.6488 8.6698 114.5980 51.4001 21.1452 176.1213 127 G 4.4874 9.3626 109.7706 47.1518 0.0000 170.8837 128 N 4.1811 8.3185 125.6378 53.5273 36.5025 175.2877 129 E 4.5026 7.7829 114.1638 55.4788 32.3070 174.2322 130 H 3.5147 8.1398 118.5758 53.6169 31.4445 172.6692 131 N 4.6177 8.0751 118.5310 53.6985 38.6237 175.1850 132 H 4.9008 7.7452 115.6460 55.6502 29.6748 176.4036 133 A 4.1497 7.7841 122.7332 53.9413 18.7554 179.4785 134 A 4.2954 7.7340 116.9168 52.9916 18.7120 177.6787 135 Q 3.9204 7.3931 114.3106 54.5253 29.3523 175.9408 136 Q 3.3448 7.2911 114.8460 56.3970 26.4609 172.2619 137 P 4.7290 0.0000 0.0000 62.8172 32.7081 177.2337 138 Q 4.6121 8.6310 124.0972 54.1075 30.9211 175.1076 139 V 3.9847 8.5544 119.7684 62.4984 32.5880 175.8815 140 L 4.5675 8.4438 125.7413 54.0024 44.9387 174.8062 141 D 4.4354 8.8469 127.0811 53.7828 40.3408 176.3721 142 I 3.5578 8.4101 123.4668 61.8217 37.2121 173.4302 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 M 8.30 4.36 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 2 K 8.48 4.30 0.00 1.84 1.71 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.50 7.81 3 T 8.46 4.22 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 4 F 8.20 4.15 0.00 2.80 2.74 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 0.00 0.00 0.00 0.00 5 T 5.79 3.51 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 0.82 0.00 0.00 6 A 8.75 4.12 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 7 K 8.38 3.88 0.00 1.65 1.72 0.00 1.60 0.00 0.00 1.79 0.00 0.00 2.72 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.33 7.81 8 P 0.00 4.32 0.00 2.19 2.19 0.00 3.74 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 9 E 8.25 4.00 0.00 1.96 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 2.30 2.35 0.00 10 T 7.09 4.35 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 1.25 0.00 0.00 11 V 7.78 4.66 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 0.87 0.00 0.00 0.98 0.00 0.00 12 K 8.01 4.17 0.00 1.74 1.67 0.00 1.96 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.40 7.81 13 R 8.23 3.57 0.00 2.04 1.86 0.00 3.18 0.00 0.00 2.95 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 14 D 8.42 5.28 0.00 2.56 2.42 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 15 W 8.20 5.94 0.00 3.25 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 16 Y 8.73 5.47 0.00 2.93 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 17 V 8.48 5.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.87 0.00 0.00 18 V 8.44 4.58 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 0.78 0.00 0.00 0.94 0.00 0.00 19 D 8.96 4.64 0.00 2.72 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 20 A 8.20 4.64 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 21 T 7.02 4.36 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 1.30 0.00 0.00 22 G 8.05 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 0.00 0.00 0.00 23 K 7.90 3.94 0.00 1.82 1.78 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.53 7.81 24 T 8.41 4.27 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 1.20 0.00 0.00 25 L 8.46 3.67 0.00 1.85 1.85 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.85 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 0.00 0.00 0.00 0.00 27 R 7.58 4.07 0.00 1.83 1.97 0.00 3.28 0.00 0.00 3.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 28 L 7.83 3.92 0.00 1.76 1.62 0.92 1.17 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 29 A 8.02 3.92 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 7.67 3.81 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 31 E 7.72 4.03 0.00 1.95 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 2.25 2.31 0.00 32 L 8.03 3.84 0.00 1.75 1.59 0.89 0.90 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 33 A 9.12 3.60 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.12 3.89 0.00 1.95 1.97 0.00 3.26 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 35 R 7.59 4.06 0.00 1.68 1.86 0.00 2.90 0.00 0.00 2.77 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.54 0.00 36 L 8.87 3.87 0.00 1.56 1.60 0.77 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.50 4.13 0.00 1.83 1.99 0.00 3.36 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 38 G 7.74 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 0.00 0.00 0.00 39 K 8.25 4.09 0.00 1.73 1.84 0.00 1.60 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.40 7.81 40 H 8.00 4.98 0.00 3.20 3.27 0.00 5.74 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.54 4.76 0.00 1.68 1.76 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.14 7.81 42 A 8.27 4.33 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 43 E 7.90 4.23 0.00 2.08 1.94 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 2.26 2.24 0.00 44 Y 8.11 3.96 0.00 3.32 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.86 4.83 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 1.27 0.00 0.00 46 P 0.00 4.32 0.00 1.93 1.99 0.00 2.96 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.91 0.00 47 H 7.47 4.50 0.00 3.16 3.33 0.00 5.60 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 48 V 8.19 4.41 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 0.83 0.00 0.00 0.97 0.00 0.00 49 D 8.44 4.73 0.00 2.73 2.61 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 0.00 0.00 0.00 0.00 50 T 8.36 4.45 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 1.25 0.00 0.00 51 G 7.53 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 52 D 8.36 4.72 0.00 2.72 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 53 Y 8.02 3.94 0.00 1.43 1.43 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 0.00 0.00 0.00 54 I 8.31 5.08 1.91 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 1.24 1.38 0.87 0.00 0.00 55 I 8.49 4.77 2.09 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.74 1.17 0.00 0.00 56 V 7.86 4.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.08 0.00 0.00 57 L 8.57 4.62 0.00 1.90 1.45 1.06 0.61 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 58 N 7.77 5.07 0.00 2.90 2.79 0.00 0.00 6.75 7.54 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 59 A 7.89 4.05 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 60 D 8.25 4.37 0.00 2.78 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 61 K 7.63 4.58 0.00 1.74 1.87 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.36 7.81 62 V 7.76 4.53 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 1.08 0.00 0.00 63 A 8.25 4.63 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 64 V 8.37 3.34 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 0.00 0.00 0.43 0.00 0.00 0.48 0.00 0.00 65 T 7.53 3.13 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 1.19 0.00 0.00 66 G 7.37 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 N 8.35 4.75 0.00 2.67 2.78 0.00 0.00 6.71 6.68 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 68 K 7.63 4.49 0.00 1.85 1.92 0.00 1.44 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.19 7.81 69 R 7.82 3.43 0.00 1.86 1.97 0.00 3.20 0.00 0.00 3.45 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 70 T 7.51 4.92 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 1.29 0.00 0.00 71 D 7.86 4.93 0.00 2.83 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 72 K 8.06 4.36 0.00 2.04 1.76 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.74 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.66 1.65 7.81 73 V 7.48 3.83 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.78 0.00 0.00 74 Y 7.03 3.75 0.00 3.23 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 75 Y 7.56 5.20 0.00 2.90 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 8.55 4.92 0.00 3.22 3.42 0.00 5.20 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 9.01 5.58 0.00 3.14 3.25 0.00 5.78 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 78 T 8.82 3.94 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 79 G 7.59 3.55 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 0.00 0.00 0.00 80 H 7.65 4.93 0.00 3.09 3.22 0.00 5.87 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 81 I 7.44 3.35 1.88 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 1.38 0.48 0.92 0.00 0.00 82 G 8.94 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 83 G 8.08 3.52 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 0.00 0.00 0.00 84 I 7.31 4.13 1.87 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 1.25 0.80 0.96 0.00 0.00 85 K 9.02 4.54 0.00 1.39 1.60 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.32 7.81 86 Q 8.68 4.50 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.33 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 87 A 7.18 5.35 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 88 T 8.02 4.08 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 1.29 0.00 0.00 89 F 9.21 4.03 0.00 3.30 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 90 E 7.94 3.99 0.00 2.38 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 2.36 2.44 0.00 91 E 8.03 4.13 0.00 2.19 1.94 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 2.39 2.40 0.00 92 M 8.28 3.89 0.00 1.35 1.74 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.65 0.00 93 I 7.22 3.69 1.82 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.12 0.83 0.00 0.00 94 A 7.18 4.27 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 95 R 8.73 4.38 0.00 1.95 2.10 0.00 2.99 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.48 0.00 96 R 7.57 3.45 0.00 1.90 2.15 0.00 3.09 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 97 P 0.00 4.34 0.00 2.19 2.33 0.00 3.68 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 98 E 8.24 3.98 0.00 1.97 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 2.38 2.34 0.00 99 R 7.60 4.19 0.00 1.99 1.88 0.00 3.09 0.00 0.00 3.05 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 100 V 7.57 3.65 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 1.37 0.00 0.00 0.44 0.00 0.00 101 I 7.67 3.97 1.89 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 1.56 0.95 0.92 0.00 0.00 102 E 7.68 4.24 0.00 2.44 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.75 0.00 103 I 8.01 4.33 2.01 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.90 1.08 0.00 0.00 104 A 7.77 3.99 1.51 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 0.00 0.00 105 V 7.61 4.14 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 0.74 0.00 0.00 0.84 0.00 0.00 106 K 7.86 4.28 0.00 2.60 2.05 0.00 1.90 0.00 0.00 1.69 0.00 0.00 3.27 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.53 1.61 7.81 107 G 7.60 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 0.00 108 M 7.22 4.24 0.00 2.07 2.20 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 2.82 2.73 0.00 109 L 7.64 4.19 0.00 1.78 1.64 0.83 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 0.00 110 P 0.00 4.72 0.00 2.21 2.21 0.00 3.85 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 111 K 8.60 3.76 0.00 2.05 1.78 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.36 7.81 112 G 8.08 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.36 0.00 2.18 2.05 0.00 3.61 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 2.11 2.14 0.00 114 L 7.83 4.16 0.00 1.76 1.67 0.92 1.03 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 0.00 115 G 8.09 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.80 3.92 0.00 2.15 1.94 0.00 3.09 0.00 0.00 3.05 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 117 A 7.39 4.06 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 0.00 118 M 8.20 4.11 0.00 2.04 2.13 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 2.77 2.49 0.00 119 F 7.82 3.87 0.00 3.16 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 0.00 120 R 7.65 4.35 0.00 2.15 2.17 0.00 3.48 0.00 0.00 3.30 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.80 0.00 121 K 7.79 4.65 0.00 1.68 1.35 0.00 0.61 0.00 0.00 1.14 0.00 0.00 2.63 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.12 1.34 7.81 122 L 8.31 5.03 0.00 1.25 1.27 0.88 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 123 K 8.56 4.73 0.00 2.03 1.77 0.00 1.65 0.00 0.00 2.02 0.00 0.00 3.21 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.52 7.81 124 V 7.80 4.09 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 0.84 0.00 0.00 1.03 0.00 0.00 125 Y 7.49 3.53 0.00 3.22 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 0.00 126 A 8.67 4.65 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 0.00 127 G 9.36 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 N 8.32 4.18 0.00 2.86 2.88 0.00 0.00 7.01 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 0.00 129 E 7.78 4.50 0.00 1.86 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.51 0.00 130 H 8.14 3.51 0.00 3.05 3.02 0.00 5.51 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 0.00 131 N 8.08 4.62 0.00 2.72 2.81 0.00 0.00 6.91 8.41 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 0.00 132 H 7.75 4.90 0.00 3.29 3.09 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 7.78 4.15 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.73 4.30 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 0.00 135 Q 7.39 3.92 0.00 1.26 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.39 0.00 136 Q 7.29 3.34 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.85 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 137 P 0.00 4.73 0.00 2.11 2.15 0.00 3.70 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 138 Q 8.63 4.61 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 139 V 8.55 3.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.97 0.00 0.00 140 L 8.44 4.57 0.00 1.81 1.71 0.84 1.21 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 0.00 141 D 8.85 4.44 0.00 2.82 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 8.41 3.56 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.29 0.88 0.00 0.00