NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4363 0.0000 0.0000 62.1868 32.7947 176.2793 3 R 3.8817 8.5399 118.3491 58.3445 30.1304 171.9341 4 V 4.7806 8.1395 109.1600 59.2839 36.3805 174.9603 5 V 4.1264 8.2845 114.9982 60.0040 32.2820 175.8878 6 P 4.3548 0.0000 0.0000 64.4718 32.2055 175.9818 7 D 4.9427 7.5162 118.6365 51.3229 39.3414 176.1358 8 Q 4.0346 8.2051 122.8935 60.0942 29.4155 178.9338 9 R 2.7837 7.9985 118.6280 59.3068 29.9410 178.2677 10 S 3.9933 7.8862 112.1685 61.0878 62.4135 175.5715 11 K 3.8853 8.2026 122.5404 59.8258 31.7418 178.3611 12 F 3.4423 8.1568 119.4670 61.0592 39.1546 176.4054 13 E 4.0682 7.7886 117.0467 58.3592 29.6301 177.7435 14 N 4.6652 8.2348 114.8642 53.1065 39.9708 175.3791 15 E 4.3462 8.0211 121.1345 55.4122 30.6284 177.2216 16 E 3.8959 8.9566 123.7190 59.2032 29.3874 178.5692 17 F 3.9420 8.2129 119.4936 61.5867 39.5570 176.8883 18 F 3.9513 7.8961 116.3229 60.2968 38.8380 177.5314 19 R 3.7972 7.7145 119.0819 58.5968 29.7705 179.0872 20 K 4.0515 7.9553 115.7520 58.0067 32.2159 178.1245 21 L 4.2077 7.8217 118.5608 54.1124 42.5527 177.6347 22 S 4.8875 7.7409 113.9114 58.5735 63.8527 173.8314 23 R 4.7949 7.4772 119.5978 54.0498 31.9183 176.0204 24 E 4.4091 8.7171 121.8125 57.7009 30.3584 175.8795 25 C 4.6690 8.8837 116.8157 56.7453 34.2261 172.4214 26 E 4.4762 8.8788 120.3580 56.8398 30.3365 175.5972 27 I 5.0583 7.4819 119.6967 58.3777 41.5748 173.9994 28 K 4.4703 7.8036 118.7303 55.4373 35.3112 173.4192 29 Y 4.7873 8.6490 129.2367 58.1195 39.5678 175.8989 30 T 4.3688 7.9440 115.2185 61.1258 69.9080 174.8602 31 G 3.4924 5.6855 110.5028 45.8044 0.0000 173.3875 32 F 3.7134 8.0292 118.0355 57.9586 36.5975 177.7057 33 R 4.0013 7.8744 119.6057 59.1291 30.4165 178.3325 34 D 4.5672 7.9858 115.3095 54.6150 40.1673 176.8788 35 R 4.3432 7.5944 118.5783 54.6960 31.1642 175.0688 36 P 4.4304 0.0000 0.0000 62.8455 33.2648 176.9740 37 H 4.1137 8.9447 120.1002 59.8709 29.8156 177.3129 38 E 3.9373 8.2597 119.5640 59.3519 29.2778 178.9117 39 E 3.8524 8.0568 118.6505 59.5007 29.8268 178.7153 40 R 4.1131 7.9491 118.0507 59.5572 29.8536 179.1022 41 Q 3.9139 8.1164 117.4987 58.7953 28.7373 178.5131 42 A 3.9850 7.7405 121.2111 55.1873 18.5073 179.4509 43 R 3.6193 8.3042 116.7159 59.8766 30.0953 178.2883 44 F 3.6347 8.2285 119.6598 61.8352 39.0627 177.0363 45 Q 3.6142 8.0707 116.2564 59.0024 28.5973 178.5980 46 N 4.1836 8.5263 117.3456 56.6865 38.6794 177.1904 47 A 4.0510 7.9956 121.5834 55.3419 18.4670 179.4174 48 C 4.0708 7.8811 115.3507 63.1584 27.9839 176.6552 49 R 4.2337 7.8864 117.9782 58.7229 29.6787 177.9806 50 D 4.7299 7.6509 116.6282 54.3307 41.2466 176.8463 51 G 3.8080 9.9233 109.0513 45.3721 0.0000 172.9643 52 R 4.9766 7.7456 113.5329 55.1455 32.7404 173.7063 53 S 4.7640 7.7644 113.3414 58.2036 66.3326 173.8792 54 E 5.1046 8.7662 121.5479 54.5857 32.4766 175.3970 55 I 5.1510 8.5086 123.8777 59.4645 42.2620 173.9926 56 A 5.0563 8.7043 126.4232 50.1298 22.2876 175.9453 57 F 4.3225 9.2020 121.0429 56.6951 39.0739 176.7057 58 V 3.5165 8.5624 124.7902 65.9977 31.4699 177.4001 59 A 4.1632 8.2362 120.5999 54.9818 18.2727 178.2481 60 T 4.1993 7.9814 103.5254 61.4580 69.8229 175.7020 61 G 3.8051 8.6063 110.2281 46.2438 0.0000 173.3991 62 T 4.3581 7.8827 117.1954 62.8876 68.9388 174.1990 63 N 5.2080 8.7623 124.1200 52.9232 40.3663 174.8787 64 L 4.6508 8.4271 119.4448 53.7956 46.7453 174.7627 65 S 4.9855 8.5730 118.5977 56.9361 65.0543 173.4749 66 L 4.6329 8.8544 123.3970 52.8317 45.0793 175.4696 67 Q 4.4695 8.2225 120.0948 54.0936 31.3263 176.5101 68 F 5.2055 7.8578 126.2792 55.0744 36.8796 174.9339 69 F 4.2929 7.5342 118.7308 54.7077 43.5913 172.6879 70 P 4.3618 0.0000 0.0000 61.6643 32.1105 176.0004 71 A 3.7130 8.3840 122.3188 54.3290 18.5215 177.7917 72 S 4.4076 10.2217 118.0593 59.6596 61.6899 169.0222 *73 W 4.7837 8.2130 128.6436 56.5440 31.8415 171.2636 74 Q 3.3355 8.3597 115.9630 56.2378 25.0374 174.4503 *80 T 4.5048 7.7778 113.5721 63.3220 69.7805 172.9802 81 P 4.5005 0.0000 0.0000 62.9687 32.7113 175.1307 82 S 4.8457 8.4223 114.3670 56.4169 64.5770 174.8635 83 R 4.6951 8.6348 122.8215 58.5190 30.1551 177.5111 84 E 4.0025 8.8937 118.8802 58.7511 30.0623 176.9778 85 Y 4.1577 7.9804 115.4151 58.7360 39.3092 174.5391 86 V 4.0043 8.4143 120.9013 60.6975 31.9142 172.5874 87 D 4.8081 8.9093 126.2257 52.4987 41.2275 176.7539 88 L 4.3584 8.2926 126.8925 56.0013 42.1784 177.3343 89 E 3.8572 7.9405 119.8699 56.0458 30.0468 181.2546 90 R 3.0844 7.2391 120.6126 58.3801 32.7905 176.2213 91 E 4.5046 7.8941 116.0144 54.6265 32.8698 174.2762 92 A 4.3646 8.4245 128.5329 52.4187 20.1752 177.6412 93 G 4.1077 10.0259 108.5135 45.0492 0.0000 173.2956 94 K 5.3813 7.5249 116.9334 55.6089 35.7325 175.8033 95 V 4.7599 9.2273 122.1488 60.5449 34.3195 173.9565 96 Y 4.9952 8.8297 120.6156 56.4587 40.1192 174.8947 97 L 5.7516 9.2840 123.2712 52.0073 46.2103 175.4348 98 K 5.0954 8.5497 120.5394 55.1587 36.0344 174.8173 99 A 5.2390 9.7612 129.4003 50.1292 22.1328 173.2694 100 P 5.2256 0.0000 0.0000 63.3066 33.1341 175.1171 101 M 4.5800 8.6884 117.7438 55.2719 35.2623 173.6716 102 I 4.5303 8.4307 120.2435 59.7019 37.7706 175.3591 103 L 4.5310 8.7083 129.0306 54.2235 42.4161 176.3479 104 N 3.9691 9.9018 125.7944 54.5778 36.2678 175.4389 105 G 4.2180 8.4801 103.3942 44.5556 0.0000 173.4257 106 V 4.8723 7.7369 119.2644 59.4179 34.0916 174.6349 107 C 4.7660 9.2873 122.4034 60.0299 29.1093 173.2868 108 V 4.8645 8.7557 115.9779 59.9794 36.8481 174.0274 109 I 5.1366 8.7616 121.4854 59.5608 41.0856 174.5887 110 W 5.1025 9.6285 135.0000 56.2431 32.3244 174.9713 111 K 4.8131 8.2096 126.3818 54.6733 35.2646 175.6861 112 G 3.9184 7.8413 110.8417 45.0421 0.0000 171.5508 113 W 5.3942 8.2247 116.7068 54.6526 31.9095 174.5431 114 I 5.0044 8.9483 120.9919 59.5713 41.4226 174.1013 115 D 5.0533 9.2047 126.7428 54.1247 41.4905 176.9032 116 L 4.2038 9.2485 127.4280 56.6024 42.0072 177.7000 117 Q 4.6987 9.4163 119.4085 56.8745 30.2774 176.9367 118 R 4.0695 8.3538 114.8556 57.1829 30.6218 177.0544 119 L 3.5061 8.6704 117.0412 55.2391 39.4693 173.3109 120 D 5.1748 7.8551 117.8524 52.0822 43.5474 174.8795 121 G 3.2562 7.0976 107.4852 46.2197 0.0000 172.4407 122 M 5.2783 5.8600 122.1266 53.1372 37.0259 174.1339 123 G 3.8675 8.0698 106.8633 46.5112 0.0000 171.1596 124 C 5.2631 7.8391 114.1427 57.8568 33.4551 172.4563 125 L 5.2851 9.1123 119.0384 53.1675 43.9244 175.6807 126 E 4.9159 9.1925 123.3468 53.9858 32.9986 174.6195 127 F 3.6156 8.5200 129.2387 58.3008 40.1600 175.1313 128 D 4.4902 7.8480 127.9464 52.3755 39.0320 176.2395 129 E 3.5444 7.9801 120.9128 58.8110 30.0972 178.3554 130 E 3.9478 8.0777 119.6589 59.2356 29.6108 178.6003 131 R 4.4920 8.4350 118.7262 58.8513 30.2530 178.7895 132 A 3.9735 7.6878 120.1555 55.5210 17.9649 179.4697 133 Q 4.0545 7.7147 116.5478 58.9897 29.5055 177.6403 134 Q 4.2271 8.2682 118.3931 57.2221 28.7595 175.8732 135 E 4.1588 7.6087 122.8414 56.5424 29.5500 176.4341 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 2 P 0.00 4.44 0.00 2.21 2.13 0.00 3.75 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 1.90 2.01 0.00 3 R 8.54 3.88 0.00 1.99 2.04 0.00 3.07 0.00 0.00 3.47 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 4 V 8.14 4.78 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 0.85 0.00 0.00 0.96 0.00 0.00 5 V 8.28 4.13 2.25 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 0.88 0.00 0.00 1.06 0.00 0.00 6 P 0.00 4.35 0.00 2.19 2.19 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 7 D 7.52 4.94 0.00 2.76 2.82 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 8 Q 8.21 4.03 0.00 2.41 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.90 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 9 R 8.00 2.78 0.00 1.65 1.77 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 10 S 7.89 3.99 0.00 3.90 3.96 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 11 K 8.20 3.89 0.00 2.04 1.89 0.00 1.82 0.00 0.00 1.81 0.00 0.00 3.45 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.73 1.60 7.81 12 F 8.16 3.44 0.00 2.58 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 13 E 7.79 4.07 0.00 2.19 1.93 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 2.26 2.43 0.00 14 N 8.23 4.67 0.00 2.68 2.87 0.00 0.00 7.08 8.45 0.00 0.00 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 8.02 4.35 0.00 2.39 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 2.42 2.58 0.00 16 E 8.96 3.90 0.00 2.03 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 2.34 2.34 0.00 17 F 8.21 3.94 0.00 2.84 2.77 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 0.00 0.00 0.00 0.00 18 F 7.90 3.95 0.00 3.01 2.32 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 19 R 7.71 3.80 0.00 1.90 1.90 0.00 3.10 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 20 K 7.96 4.05 0.00 1.54 1.69 0.00 1.57 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.51 7.81 21 L 7.82 4.21 0.00 1.31 1.15 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 22 S 7.74 4.89 0.00 4.04 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 23 R 7.48 4.79 0.00 1.64 1.86 0.00 3.24 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 24 E 8.72 4.41 0.00 1.86 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 2.28 2.33 0.00 25 C 8.88 4.67 0.00 3.00 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 26 E 8.88 4.48 0.00 2.06 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 2.34 2.26 0.00 27 I 7.48 5.06 1.79 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.50 0.71 0.00 0.00 28 K 7.80 4.47 0.00 1.75 1.57 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.47 7.81 29 Y 8.65 4.79 0.00 2.72 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 30 T 7.94 4.37 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 1.15 0.00 0.00 31 G 5.69 3.49 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 32 F 8.03 3.71 0.00 3.35 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 33 R 7.87 4.00 0.00 1.75 1.99 0.00 3.12 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 34 D 7.99 4.57 0.00 2.81 2.80 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 35 R 7.59 4.34 0.00 2.06 2.04 0.00 3.32 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 1.91 1.79 0.00 36 P 0.00 4.43 0.00 2.18 2.00 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 37 H 8.94 4.11 0.00 3.26 3.36 0.00 5.88 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 38 E 8.26 3.94 0.00 2.10 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 2.42 2.46 0.00 39 E 8.06 3.85 0.00 2.02 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 2.23 2.32 0.00 40 R 7.95 4.11 0.00 2.13 2.22 0.00 3.45 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.11 0.00 41 Q 8.12 3.91 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.15 0.00 42 A 7.74 3.99 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 43 R 8.30 3.62 0.00 1.81 1.59 0.00 2.21 0.00 0.00 2.66 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.99 0.00 44 F 8.23 3.63 0.00 2.38 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 45 Q 8.07 3.61 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.51 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 46 N 8.53 4.18 0.00 2.73 2.85 0.00 0.00 6.95 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 47 A 8.00 4.05 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 4.07 0.00 2.73 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 49 R 7.89 4.23 0.00 1.92 1.98 0.00 3.13 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 50 D 7.65 4.73 0.00 2.76 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 51 G 9.92 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 52 R 7.75 4.98 0.00 1.78 1.85 0.00 3.13 0.00 0.00 3.06 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.47 0.00 53 S 7.76 4.76 0.00 4.07 4.03 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 54 E 8.77 5.10 0.00 1.80 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 2.21 2.30 0.00 55 I 8.51 5.15 1.45 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 1.24 1.17 0.87 0.00 0.00 56 A 8.70 5.06 1.23 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 0.00 0.00 0.00 57 F 9.20 4.32 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 3.52 2.18 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 0.74 0.00 0.00 0.92 0.00 0.00 59 A 8.24 4.16 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 60 T 7.98 4.20 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 1.15 0.00 0.00 61 G 8.61 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 62 T 7.88 4.36 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 1.48 0.00 0.00 63 N 8.76 5.21 0.00 2.61 2.71 0.00 0.00 6.97 7.85 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 64 L 8.43 4.65 0.00 1.40 1.38 1.21 1.09 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 65 S 8.57 4.99 0.00 3.67 3.68 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 66 L 8.85 4.63 0.00 0.90 1.00 -0.38 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.22 4.47 0.00 1.91 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.34 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 68 F 7.86 5.21 0.00 2.62 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 69 F 7.53 4.29 0.00 2.81 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 70 P 0.00 4.36 0.00 2.21 2.09 0.00 3.73 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 71 A 8.38 3.71 1.29 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 0.00 0.00 0.00 72 S 10.22 4.41 0.00 3.88 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 0.00 *73 W 8.21 4.78 0.00 2.51 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 0.00 0.00 0.00 0.00 74 Q 8.36 3.34 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.48 0.00 0.00 0.00 0.00 0.00 2.19 1.93 0.00 *80 T 7.78 4.50 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 1.26 0.00 0.00 81 P 0.00 4.50 0.00 2.01 1.76 0.00 3.83 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.15 0.00 82 S 8.42 4.85 0.00 4.03 3.96 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 83 R 8.63 4.70 0.00 1.79 1.95 0.00 3.41 0.00 0.00 3.98 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.62 0.00 84 E 8.89 4.00 0.00 1.93 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 1.81 2.12 0.00 85 Y 7.98 4.16 0.00 3.14 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 86 V 8.41 4.00 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 0.83 0.00 0.00 0.79 0.00 0.00 87 D 8.91 4.81 0.00 2.85 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 88 L 8.29 4.36 0.00 1.66 1.70 0.90 1.02 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 89 E 7.94 3.86 0.00 1.93 1.79 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 2.30 2.22 0.00 90 R 7.24 3.08 0.00 1.73 1.90 0.00 2.80 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.23 0.00 91 E 7.89 4.50 0.00 1.74 1.71 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 2.17 2.18 0.00 92 A 8.42 4.36 1.23 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 0.00 0.00 0.00 93 G 10.03 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 0.00 0.00 0.00 94 K 7.52 5.38 0.00 1.97 1.83 0.00 1.14 0.00 0.00 1.59 0.00 0.00 2.53 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.54 7.81 95 V 9.23 4.76 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 1.05 0.00 0.00 0.95 0.00 0.00 96 Y 8.83 5.00 0.00 2.98 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 97 L 9.28 5.75 0.00 1.92 1.17 1.09 -0.47 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 98 K 8.55 5.10 0.00 1.74 1.49 0.00 1.35 0.00 0.00 0.81 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.44 7.81 99 A 9.76 5.24 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 0.00 0.00 0.00 0.00 0.00 100 P 0.00 5.23 0.00 2.18 2.22 0.00 4.19 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 101 M 8.69 4.58 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.63 0.00 102 I 8.43 4.53 1.92 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 1.33 0.67 1.04 0.00 0.00 103 L 8.71 4.53 0.00 2.02 1.94 1.15 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 104 N 9.90 3.97 0.00 3.12 2.92 0.00 0.00 7.22 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 0.00 105 G 8.48 4.22 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 0.00 0.00 0.00 106 V 7.74 4.87 2.16 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 0.99 0.00 0.00 0.91 0.00 0.00 107 C 9.29 4.77 0.00 2.62 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 0.00 108 V 8.76 4.86 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 0.82 0.00 0.00 1.17 0.00 0.00 109 I 8.76 5.14 1.92 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 1.20 0.89 1.04 0.00 0.00 110 W 9.63 5.10 0.00 3.56 3.35 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 0.00 111 K 8.21 4.81 0.00 1.53 1.53 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.35 1.36 7.81 112 G 7.84 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 0.00 113 W 8.22 5.39 0.00 2.68 1.74 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 0.00 114 I 8.95 5.00 2.05 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.62 0.60 0.00 0.00 115 D 9.20 5.05 0.00 3.03 2.69 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 0.00 116 L 9.25 4.20 0.00 1.69 1.81 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 9.42 4.70 0.00 1.88 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.02 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 118 R 8.35 4.07 0.00 2.07 2.00 0.00 3.39 0.00 0.00 3.41 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.17 0.00 119 L 8.67 3.51 0.00 1.89 1.77 0.93 0.21 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 0.00 120 D 7.86 5.17 0.00 2.82 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 7.10 3.26 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 0.00 122 M 5.86 5.28 0.00 1.66 1.31 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.09 0.00 123 G 8.07 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 0.00 0.00 0.00 124 C 7.84 5.26 0.00 3.01 3.13 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 0.00 125 L 9.11 5.29 0.00 1.89 1.97 1.44 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 126 E 9.19 4.92 0.00 2.10 1.75 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 2.23 2.27 0.00 127 F 8.52 3.62 0.00 1.68 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 0.00 128 D 7.85 4.49 0.00 2.61 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 0.00 0.00 0.00 0.00 129 E 7.98 3.54 0.00 2.22 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 0.00 2.33 2.42 0.00 130 E 8.08 3.95 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 2.36 2.39 0.00 131 R 8.43 4.49 0.00 1.88 1.91 0.00 3.54 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 132 A 7.69 3.97 1.20 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 0.00 133 Q 7.71 4.05 0.00 2.06 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 134 Q 8.27 4.23 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 135 E 7.61 4.16 0.00 2.16 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 2.48 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.