NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 Y 5.1631 8.3698 117.8154 58.0255 39.2317 174.8305 16 S 4.3630 8.1065 119.4480 56.2395 64.4023 172.0567 17 N 4.8872 8.9228 117.1983 52.9923 39.0468 176.1894 18 A 4.8977 7.8835 121.5414 52.3078 19.5521 177.1665 19 I 4.8839 8.8659 112.1996 59.3854 42.0443 174.1754 20 V 4.8626 8.7287 123.1213 61.3405 34.2151 174.2171 21 V 4.8237 9.0137 129.1426 61.4968 33.2783 174.6543 22 L 4.9948 9.1810 128.7979 54.6331 43.2330 175.4339 23 C 5.8315 9.0388 121.1894 59.3149 35.4970 172.5079 24 T 5.3567 8.6644 112.7091 59.9271 71.5296 172.6808 25 A 4.6320 8.6834 123.9727 49.2844 22.3104 175.6535 26 P 4.3597 0.0000 0.0000 65.4768 31.9392 176.3132 27 D 4.6091 7.3822 117.2065 51.2703 43.6195 176.1557 28 E 3.9085 8.6214 118.8161 59.2446 29.4298 179.1284 29 A 3.9651 8.0466 120.6747 55.4986 18.4426 179.7797 30 S 4.0511 8.6586 112.5013 61.3732 63.0368 176.4804 31 A 3.9624 7.9667 124.4171 55.0128 18.0714 179.6293 32 Q 3.9227 8.6233 116.8842 59.1853 28.8082 178.8002 33 N 4.3282 8.2269 117.4811 56.1417 38.5102 177.2384 34 L 4.0292 8.0814 121.4704 58.0779 42.1492 178.7576 35 A 4.0946 8.2525 120.5516 55.2452 18.2858 179.4003 36 A 3.9450 8.2254 119.2994 55.3993 18.4638 179.8803 37 Q 3.9337 8.2309 116.4378 59.1769 28.8615 179.1095 38 V 3.2434 8.2012 119.5580 66.0396 31.5347 178.0897 39 L 4.0678 8.3602 119.0773 57.6912 41.2334 179.6840 40 G 3.6090 8.0192 104.8810 47.6796 0.0000 174.8848 41 E 4.0207 7.8726 117.9182 55.6242 30.1286 176.5794 42 K 3.7007 7.6765 117.7100 57.8105 29.9852 175.6646 43 L 4.4495 7.6529 115.5902 54.5243 42.8683 176.9245 44 A 4.5968 7.3620 119.7562 50.8436 21.9916 175.9870 45 A 4.0894 8.6315 123.1642 54.1925 19.7529 177.8237 46 C 4.8333 7.9148 114.1134 58.1086 35.5011 173.0833 47 V 4.6336 8.4333 124.8440 61.4104 33.5672 174.3485 48 T 4.5814 8.7334 125.1380 61.7786 70.8384 173.3032 49 L 4.8729 8.4556 125.9681 53.1436 43.9979 176.6064 50 L 4.7231 8.7940 124.6226 52.1816 42.5142 174.4319 51 P 4.5611 0.0000 0.0000 62.4723 32.9948 176.5333 52 G 3.7455 8.7018 105.4098 46.0972 0.0000 173.6313 53 A 4.5021 7.8364 121.6314 51.6383 20.1875 177.2745 54 T 5.0507 8.4471 115.0760 61.9090 71.5547 173.9105 55 S 4.9178 9.4226 122.2403 56.6849 66.0103 172.9795 56 L 5.1645 8.2698 123.9259 53.2565 44.0762 175.1851 57 Y 4.7681 7.5887 118.6240 56.6199 41.7204 172.4811 58 Y 4.7646 8.9604 118.5234 56.9954 39.5411 175.1321 59 W 5.0175 9.1226 133.3353 56.7138 33.5981 174.8955 60 E 3.5791 9.3284 126.6563 57.4725 26.3939 175.8688 61 G 4.0523 8.4424 104.9117 45.2454 0.0000 173.5244 62 K 4.7362 7.8051 119.3779 54.1319 35.3982 175.3204 63 L 3.5589 8.2606 126.2812 54.8365 42.4761 175.6869 64 E 4.3974 8.6501 126.6646 54.6352 32.2897 175.4130 65 Q 4.2577 8.2114 122.7864 54.5211 31.3609 173.8470 66 E 4.6802 8.9986 125.9078 54.3097 33.8773 175.1983 67 Y 4.9810 8.2893 119.8564 58.4416 39.0426 174.6487 68 E 4.9496 9.4698 121.7226 55.3756 35.4764 173.7790 69 V 4.7075 8.8193 120.9842 61.3419 33.8888 174.0925 70 Q 4.7357 8.8954 129.7721 55.3805 30.4166 174.2930 71 L 5.1064 9.3474 126.7114 53.0542 44.9753 175.7277 72 L 5.0168 8.6365 121.7185 53.1749 45.0131 175.6362 73 F 4.8177 9.3838 124.6005 56.2778 40.6034 175.4589 74 K 4.9298 9.3354 125.1866 55.5157 33.3128 175.1155 75 S 4.7933 8.9122 123.0321 57.2788 66.1015 172.1379 76 N 5.5840 8.6434 113.8383 51.0247 40.6548 175.1640 77 T 3.9462 9.0677 109.3792 64.7964 68.8427 176.4124 78 D 4.3804 7.6462 120.9923 56.6646 40.9974 176.6669 79 H 4.8077 8.2502 114.2809 55.1188 30.0781 175.2165 80 Q 3.9364 8.0467 122.1840 59.4910 28.7322 178.3831 81 Q 3.9120 8.0274 119.6681 59.0678 29.1329 177.6819 82 A 3.9862 7.9643 121.3606 54.9897 18.3613 179.0494 83 L 3.8336 8.1413 118.9214 58.3721 42.2286 179.0588 84 L 3.9070 7.9905 118.8011 58.2365 41.6315 179.7746 85 T 3.8668 8.1311 115.6027 66.7331 68.1725 176.0499 86 Y 3.9310 8.0058 120.2655 60.7196 39.0972 177.8590 87 I 3.8775 8.0535 120.8990 64.4033 37.0188 178.1644 88 K 3.8059 7.8302 118.9523 59.5088 32.0076 177.9070 89 Q 4.2570 7.5586 115.1552 56.4512 29.3015 175.4318 90 H 4.8452 8.0691 117.6027 55.8280 29.8762 172.7173 91 H 4.8808 8.0200 117.4890 53.3013 32.4794 171.7066 92 P 4.3254 0.0000 0.0000 65.5433 31.4493 176.5294 93 Y 4.7289 7.6935 115.3602 57.0910 38.9029 175.2895 94 Q 4.1865 8.8262 124.1208 58.9395 29.5175 176.5377 95 T 4.5916 7.4607 113.8554 60.7407 68.8133 171.5244 96 P 4.5542 0.0000 0.0000 61.6279 32.9160 176.6717 97 E 4.0514 8.5915 120.9936 56.6177 30.6917 175.7238 98 L 4.7040 8.4977 126.6338 53.5347 44.8674 174.9357 99 L 4.7566 8.8521 124.2271 52.6772 45.0901 175.8989 100 V 4.4787 8.5211 124.1828 61.6234 32.7367 174.7627 101 L 4.7893 9.0899 129.2638 52.8254 43.3009 174.8108 102 P 4.9233 0.0000 0.0000 62.6099 32.9594 175.4992 103 V 4.2824 8.2421 120.4557 61.2300 33.4744 176.4165 104 R 2.5837 8.5269 128.5015 58.7780 30.2440 174.9723 105 D 4.4758 7.0323 114.1841 53.9543 43.7086 173.5435 106 G 3.9769 7.9607 109.2684 43.6331 0.0000 173.0388 107 D 4.4428 8.1004 118.5819 53.6605 42.5120 176.1264 108 K 3.8951 8.8087 127.8540 60.0606 32.2787 178.5584 109 D 4.3938 8.2249 118.3882 57.5065 40.7438 178.0391 110 Y 4.1380 8.5081 119.9881 60.7857 38.7879 178.0023 111 L 3.9951 8.5162 120.3730 57.7702 41.6188 179.4513 112 S 4.0562 8.3968 113.2981 61.1262 62.3763 176.0564 113 W 4.0415 8.2250 131.0231 60.2400 30.2205 177.6283 114 L 3.1008 7.6650 119.1890 57.9540 41.9358 178.4082 115 N 4.3397 8.1646 116.2179 56.3542 38.2669 177.3363 116 A 3.9450 8.0248 122.1777 55.1992 18.1774 179.8467 117 S 3.8238 7.4842 112.7297 60.6583 62.7817 175.7772 118 L 4.2651 7.1602 119.3231 54.7701 42.5049 176.1737 119 L 4.0993 7.0772 124.9929 55.4678 41.9806 176.4181 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 15 Y 8.37 5.16 0.00 2.88 3.03 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 0.00 0.00 0.00 16 S 8.11 4.36 0.00 4.02 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 17 N 8.92 4.89 0.00 2.81 3.11 0.00 0.00 5.84 7.46 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 18 A 7.88 4.90 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 19 I 8.87 4.88 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 1.27 0.88 1.02 0.00 0.00 20 V 8.73 4.86 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 0.86 0.00 0.00 1.00 0.00 0.00 21 V 9.01 4.82 2.23 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 1.06 0.00 0.00 0.98 0.00 0.00 22 L 9.18 4.99 0.00 1.65 1.79 0.97 0.63 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 23 C 9.04 5.83 0.00 3.17 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 24 T 8.66 5.36 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 1.32 0.00 0.00 25 A 8.68 4.63 1.11 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 0.00 0.00 26 P 0.00 4.36 0.00 2.23 2.35 0.00 3.40 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.75 0.00 27 D 7.38 4.61 0.00 3.03 2.79 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 28 E 8.62 3.91 0.00 2.01 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 2.38 2.35 0.00 29 A 8.05 3.97 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.66 4.05 0.00 3.93 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.97 3.96 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 32 Q 8.62 3.92 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 33 N 8.23 4.33 0.00 2.75 2.88 0.00 0.00 6.69 6.04 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 34 L 8.08 4.03 0.00 1.80 1.96 1.11 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.25 4.09 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 36 A 8.23 3.95 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 37 Q 8.23 3.93 0.00 2.46 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.73 0.00 0.00 0.00 0.00 0.00 2.46 2.63 0.00 38 V 8.20 3.24 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.08 0.00 0.00 39 L 8.36 4.07 0.00 1.71 1.69 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.02 3.61 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 0.00 0.00 0.00 41 E 7.87 4.02 0.00 1.62 1.65 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 2.16 1.47 0.00 42 K 7.68 3.70 0.00 1.78 1.72 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.27 1.46 7.81 43 L 7.65 4.45 0.00 1.44 1.58 0.66 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.36 4.60 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.63 4.09 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 C 7.91 4.83 0.00 3.38 2.98 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 47 V 8.43 4.63 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 -0.03 0.00 0.00 0.90 0.00 0.00 48 T 8.73 4.58 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 1.18 0.00 0.00 49 L 8.46 4.87 0.00 1.44 1.54 0.79 0.92 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 50 L 8.79 4.72 0.00 1.62 1.58 0.93 1.14 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 51 P 0.00 4.56 0.00 2.05 2.04 0.00 3.83 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 1.96 1.95 0.00 52 G 8.70 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 53 A 7.84 4.50 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.45 5.05 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 1.13 0.00 0.00 55 S 9.42 4.92 0.00 3.88 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 56 L 8.27 5.16 0.00 1.47 1.46 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 7.59 4.77 0.00 3.19 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 58 Y 8.96 4.76 0.00 2.96 3.01 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 0.00 0.00 0.00 59 W 9.12 5.02 0.00 3.66 3.02 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 0.00 0.00 0.00 60 E 9.33 3.58 0.00 2.06 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 1.81 1.47 0.00 61 G 8.44 4.05 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 0.00 0.00 0.00 62 K 7.81 4.74 0.00 1.71 1.67 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.51 7.81 63 L 8.26 3.56 0.00 0.72 1.25 0.38 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.65 4.40 0.00 1.16 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 2.23 2.29 0.00 65 Q 8.21 4.26 0.00 1.82 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.77 0.00 0.00 0.00 0.00 0.00 2.00 2.21 0.00 66 E 9.00 4.68 0.00 1.97 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 2.10 2.42 0.00 67 Y 8.29 4.98 0.00 2.93 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 68 E 9.47 4.95 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 69 V 8.82 4.71 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 0.96 0.00 0.00 0.91 0.00 0.00 70 Q 8.90 4.74 0.00 2.27 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.53 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 71 L 9.35 5.11 0.00 1.81 1.24 1.02 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.64 5.02 0.00 1.54 1.57 0.94 1.23 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 73 F 9.38 4.82 0.00 2.99 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 74 K 9.34 4.93 0.00 1.93 1.95 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.46 7.81 75 S 8.91 4.79 0.00 3.91 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 76 N 8.64 5.58 0.00 3.08 2.85 0.00 0.00 5.74 7.22 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 77 T 9.07 3.95 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 78 D 7.65 4.38 0.00 2.59 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 79 H 8.25 4.81 0.00 3.20 3.23 0.00 5.82 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 8.05 3.94 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 81 Q 8.03 3.91 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 82 A 7.96 3.99 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 83 L 8.14 3.83 0.00 1.91 1.86 0.75 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.99 3.91 0.00 1.85 1.69 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.13 3.87 4.41 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 1.22 0.00 0.00 86 Y 8.01 3.93 0.00 3.04 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 87 I 8.05 3.88 1.77 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.38 0.90 0.00 0.00 88 K 7.83 3.81 0.00 1.82 2.02 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.52 7.81 89 Q 7.56 4.26 0.00 1.81 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.20 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 90 H 8.07 4.85 0.00 2.91 3.30 0.00 5.79 0.00 0.00 0.00 0.00 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 H 8.02 4.88 0.00 3.31 3.11 0.00 5.73 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.33 0.00 1.99 2.03 0.00 3.07 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.68 0.00 93 Y 7.69 4.73 0.00 2.95 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 94 Q 8.83 4.19 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.22 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 95 T 7.46 4.59 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 96 P 0.00 4.55 0.00 1.96 1.52 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 1.91 1.81 0.00 97 E 8.59 4.05 0.00 2.08 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 2.58 2.37 0.00 98 L 8.50 4.70 0.00 1.50 1.54 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.85 4.76 0.00 1.61 1.56 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.52 4.48 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 0.90 0.00 0.00 0.95 0.00 0.00 101 L 9.09 4.79 0.00 1.71 1.61 0.97 0.86 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 0.00 102 P 0.00 4.92 0.00 2.42 2.17 0.00 3.79 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 2.17 2.09 0.00 103 V 8.24 4.28 2.29 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 1.00 0.00 0.00 0.99 0.00 0.00 104 R 8.53 2.58 0.00 1.10 1.57 0.00 3.09 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.10 0.00 105 D 7.03 4.48 0.00 2.50 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 0.00 106 G 7.96 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 0.00 107 D 8.10 4.44 0.00 2.82 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 0.00 108 K 8.81 3.90 0.00 1.89 1.84 0.00 1.80 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.58 7.81 109 D 8.22 4.39 0.00 2.99 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 0.00 110 Y 8.51 4.14 0.00 3.13 3.19 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 0.00 111 L 8.52 4.00 0.00 1.91 1.75 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.40 4.06 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 0.00 113 W 8.23 4.04 0.00 3.40 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 0.00 114 L 7.67 3.10 0.00 1.39 1.65 1.06 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.16 4.34 0.00 2.70 2.80 0.00 0.00 6.97 8.51 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 0.00 116 A 8.02 3.95 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.48 3.82 0.00 3.31 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 0.00 118 L 7.16 4.27 0.00 1.39 1.18 0.76 0.58 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 0.00 119 L 7.08 4.10 0.00 1.50 1.52 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00