NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.5326 8.3044 120.2866 55.2844 33.9757 173.9581 3 V 4.2315 8.0537 121.5140 59.8076 33.8031 172.9084 4 W 4.6543 9.1672 135.0000 57.6020 31.6289 174.7886 5 T 4.2048 8.5030 123.9639 61.3781 67.0124 172.6637 6 P 4.5150 0.0000 0.0000 63.3454 32.2483 175.6879 7 V 4.1031 7.3554 119.7424 62.6038 33.2153 175.2508 8 N 4.2058 8.6243 125.0401 54.9334 36.1582 173.6570 9 N 5.0255 7.5908 108.7336 52.8787 40.0685 174.2179 10 K 4.0720 8.3647 116.5855 56.6301 32.7903 176.7734 11 M 4.9229 8.3582 121.3216 53.9338 35.1016 175.3067 12 F 4.6130 8.3651 116.6728 57.3442 41.0855 176.5071 13 E 3.4703 8.3329 122.6061 57.3086 27.9265 175.8296 14 T 3.8477 8.3225 122.9936 66.3119 68.6857 174.2752 15 F 4.5249 9.0777 124.2371 57.6275 36.4933 176.2240 16 S 4.5156 8.1788 114.7521 60.0572 63.1517 174.4442 17 Y 4.3684 8.2583 117.4899 58.2401 38.2750 175.2368 18 L 4.6694 7.5084 120.0992 52.3265 43.3984 174.6952 19 P 4.4274 0.0000 0.0000 61.9004 31.8274 174.9016 20 P 4.2698 0.0000 0.0000 62.9774 31.7364 176.4263 21 L 4.0300 8.3387 122.9142 54.6752 42.2500 177.8887 22 T 4.2241 8.1895 113.7996 61.1993 71.0902 175.2393 23 D 4.3591 8.6144 121.2356 57.7569 40.7639 178.8922 24 E 3.9359 8.0923 119.1748 59.2710 29.8285 178.7756 25 Q 3.9223 7.9490 118.1599 58.7348 28.7156 178.5859 26 I 3.7299 8.0948 121.0030 64.3838 37.1207 178.1924 27 A 4.0218 8.2320 121.4376 55.2702 18.2983 179.4914 28 A 3.9614 8.0695 119.1423 55.4732 18.4951 179.9463 29 Q 4.1129 8.0648 116.1939 59.0505 28.7801 179.0602 30 V 3.7442 8.2230 119.4575 66.2239 31.5431 177.7706 31 D 4.4395 8.5580 118.9665 57.5215 40.4673 178.2757 32 Y 4.1610 8.0332 119.6978 60.6313 38.9612 177.8503 33 I 3.9500 7.9135 120.6460 64.6415 37.3020 178.5892 34 V 3.5281 7.8177 118.5332 65.9963 31.1935 177.8395 35 A 3.9266 8.0535 119.5863 54.6116 18.2242 178.3316 36 N 4.0860 7.0647 112.3519 52.0677 38.7747 175.7734 37 G 3.7607 7.2792 108.3076 45.9918 0.0000 174.0368 38 W 4.9518 7.4035 118.6061 56.1397 30.6803 176.2122 39 I 4.3914 8.9759 123.0779 59.4728 37.8920 174.0719 40 P 4.8878 0.0000 0.0000 62.9368 32.7865 175.1889 41 C 4.9701 8.7562 121.1287 58.4654 35.5701 172.4397 42 L 5.3263 8.7333 124.1304 53.2333 44.3148 175.1871 43 E 5.6067 9.1466 121.1479 54.8960 34.0341 174.6501 44 F 5.6405 9.1415 116.1843 55.9095 42.0909 173.0264 45 A 4.5185 8.2741 120.2663 50.1724 22.6018 176.2527 46 E 4.2683 8.6461 118.8127 55.7588 30.2549 177.6455 47 A 4.2597 8.8620 122.9608 55.8846 18.4189 179.8417 48 D 4.5386 8.1404 113.5013 56.4310 41.0888 177.2028 49 K 4.5831 7.9429 117.0390 56.0436 32.4895 176.8546 50 A 3.9376 7.5512 123.3867 53.8985 18.9182 178.2274 51 Y 4.6544 7.4096 111.3368 55.5651 40.1703 175.7461 52 V 3.7964 8.4113 122.2055 63.9195 31.9875 175.3353 53 S 4.7951 8.9118 119.9474 57.3658 66.2518 173.7447 54 N 5.2469 8.5501 114.4647 52.4364 39.7884 176.2110 55 E 3.9913 8.2839 119.1723 59.6846 29.4872 179.0236 56 S 4.0553 8.7095 115.2293 60.4336 62.9238 175.9057 57 A 2.5800 7.5383 123.4007 53.4798 17.7423 179.0272 58 I 3.5772 6.9411 116.4868 63.5406 38.0361 177.0871 59 R 4.3064 7.4276 116.4047 55.6554 30.6088 176.2881 60 F 5.0280 7.1451 118.0040 56.0113 41.1770 177.5347 61 G 4.0176 8.2562 116.5933 46.2976 0.0000 175.6659 62 S 4.6155 8.4437 114.3265 58.4981 62.0173 174.4628 63 V 4.4315 7.2893 107.3816 61.1708 33.0821 177.5411 64 S 4.5498 8.1989 114.3527 59.1995 63.5659 173.4651 65 C 4.0518 8.0753 119.3863 61.6144 27.9725 173.1312 66 L 3.5879 8.4262 123.2076 55.6081 39.0060 173.1683 67 Y 4.3873 7.7395 119.4841 55.9938 39.9548 174.5838 68 Y 4.8599 7.1752 123.2761 56.2658 42.3329 174.7645 69 D 4.4911 8.7953 123.3180 55.4100 41.7028 176.9322 70 N 4.4717 8.9100 116.8703 54.1904 35.9446 176.0676 71 R 3.9466 7.9877 118.5845 59.3484 30.3710 177.1508 72 Y 4.3576 7.6987 114.5838 58.0032 38.3111 175.3507 73 W 5.0657 8.6786 124.2984 55.4244 32.6248 174.5786 74 T 4.2969 8.1701 117.2522 62.6264 69.5020 174.5553 75 M 4.6172 8.4978 126.6729 55.2079 33.1225 175.2549 76 W 4.7266 9.4979 135.0000 56.4535 31.2186 176.8594 77 K 3.4158 8.5369 128.9937 57.6254 30.6221 177.9887 78 L 4.9328 8.2519 125.2674 52.6453 45.0013 174.0220 79 P 4.3623 0.0000 0.0000 63.3783 32.1374 177.6162 80 M 4.3064 8.7279 123.3036 53.7585 30.4031 175.2748 81 F 4.4910 7.4845 118.7188 58.8274 39.9512 176.2459 82 G 3.9747 9.1753 113.0348 45.5723 0.0000 172.7247 83 C 4.3222 7.8193 120.2471 59.4391 31.7963 173.3396 84 R 4.5483 8.6168 123.7773 55.4987 31.6589 174.4414 85 D 4.8114 7.8850 118.7241 51.3108 42.3420 174.4536 86 P 4.3535 0.0000 0.0000 66.2862 31.0984 178.1726 87 M 4.1338 8.2296 118.0480 58.0672 31.8643 178.3883 88 Q 3.9912 8.0269 119.6402 59.0615 29.2043 178.5251 89 V 3.6224 7.7339 118.7573 66.0957 31.7595 177.8132 90 L 4.0170 8.0041 118.7140 57.9658 41.3449 179.8212 91 R 3.9902 8.2396 118.0317 59.1989 29.9743 178.9729 92 E 4.0954 8.1211 118.1147 59.1384 29.4471 179.1495 93 I 3.4788 7.8341 120.0632 64.3968 37.2124 178.3911 94 V 3.4692 7.6185 118.4346 66.0322 31.4170 177.8821 95 A 3.9236 8.0875 120.5131 55.1564 18.2556 179.1896 96 C 2.0000 7.7676 117.5711 62.0803 31.3045 176.0200 97 T 3.7619 7.5602 111.1784 64.3097 67.9911 176.4341 98 K 3.8243 7.5789 121.9291 59.2969 32.3121 178.4342 99 A 3.9814 7.5095 119.8640 53.5127 19.7362 177.6464 100 F 4.7239 7.7462 115.4894 55.1115 39.1643 173.9493 101 P 4.4408 0.0000 0.0000 64.2369 31.8925 177.8786 102 D 4.6585 8.0625 116.6278 53.8998 41.2567 175.5274 103 A 4.7454 7.3401 121.3998 50.5951 21.1397 177.0162 104 Y 4.2523 8.6426 117.7525 57.7837 39.4582 175.2406 105 V 5.2062 9.0002 123.4451 61.1185 35.1217 174.3070 106 R 4.9906 9.4560 123.8903 54.2602 32.9647 173.8829 107 L 4.8202 8.0995 123.4088 53.9095 43.9698 175.7013 108 V 4.8899 8.6664 118.3024 59.5493 36.4835 174.0810 109 A 4.9693 7.9708 121.8430 50.5659 22.9021 175.1858 110 F 5.2442 9.0582 119.8228 55.7375 42.5104 174.1291 111 D 5.3876 8.7619 122.8858 52.7617 42.3588 176.5813 112 N 4.7658 9.1652 122.8023 54.0591 38.4085 176.2676 113 Q 4.2144 8.8538 118.9942 58.8932 29.1103 177.6748 114 K 4.0001 8.2637 114.9207 57.2023 32.9222 176.6336 115 Q 3.4959 8.0278 118.6437 55.9236 26.9947 172.6062 116 V 4.5026 7.7601 117.2168 60.0174 35.0308 174.1744 117 Q 4.3825 8.7678 123.2930 56.6326 29.2605 175.6002 118 I 4.1876 8.1763 125.0086 61.3036 39.6489 174.3560 119 M 4.5879 6.6746 117.5430 54.2116 34.4667 173.6689 120 G 4.7962 8.2283 107.9932 47.3144 0.0000 172.2323 121 F 5.0453 7.1323 115.5287 55.1984 41.1219 172.8694 122 L 4.4233 8.8464 123.1012 55.6859 41.8886 176.7964 123 V 4.4773 8.9099 118.8059 61.6676 34.0196 175.8908 124 Q 4.5750 7.8495 121.3540 54.2940 32.4104 173.4455 125 R 4.3213 8.1991 122.1674 52.9202 32.4872 173.8423 126 P 4.1912 0.0000 0.0000 62.8329 31.6640 177.5787 127 K 4.1196 8.4548 119.7117 59.0971 32.1442 178.1405 128 T 4.1170 7.7523 107.0760 62.3103 69.4121 174.7736 129 A 4.1954 7.8089 126.5367 52.9258 18.5005 177.3120 130 R 4.6075 8.8285 120.7615 56.1512 31.2506 175.6775 131 D 4.9555 8.2693 117.3834 52.8128 39.7553 175.5770 132 F 5.3934 7.7119 112.1456 54.6630 41.0751 173.5099 133 Q 4.4646 8.3720 120.0161 52.8857 31.2575 174.1579 134 P 4.3616 0.0000 0.0000 62.5745 31.9028 176.9283 135 A 3.9133 8.7531 123.3774 55.4409 18.1719 178.2653 136 N 4.7592 8.0332 109.6036 52.9085 37.7101 175.3326 137 K 4.4898 7.8736 116.9582 56.5117 33.0232 177.3105 138 R 3.6825 7.7042 121.4981 57.9606 30.9387 176.5762 139 S 5.1179 7.7174 111.5570 56.4197 66.0918 174.8455 140 V 4.0691 8.7062 114.7712 61.5842 31.4611 175.5464 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 M 8.30 4.53 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 3 V 8.05 4.23 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 0.93 0.00 0.00 0.97 0.00 0.00 4 W 9.17 4.65 0.00 3.48 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 5 T 8.50 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 1.06 0.00 0.00 6 P 0.00 4.52 0.00 2.23 2.19 0.00 3.78 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 1.96 1.96 0.00 7 V 7.36 4.10 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 0.78 0.00 0.00 0.91 0.00 0.00 8 N 8.62 4.21 0.00 2.87 2.91 0.00 0.00 6.53 6.92 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 9 N 7.59 5.03 0.00 2.65 2.67 0.00 0.00 7.30 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 10 K 8.36 4.07 0.00 2.00 1.64 0.00 0.79 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.18 0.00 0.00 0.00 0.00 1.34 1.32 7.81 11 M 8.36 4.92 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.67 0.00 12 F 8.37 4.61 0.00 3.11 3.06 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 13 E 8.33 3.47 0.00 2.13 1.70 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 2.20 2.13 0.00 14 T 8.32 3.85 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 0.13 0.00 0.00 15 F 9.08 4.52 0.00 3.28 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 16 S 8.18 4.52 0.00 4.15 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 17 Y 8.26 4.37 0.00 3.05 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 18 L 7.51 4.67 0.00 1.76 1.60 0.81 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.43 0.00 2.04 2.01 0.00 3.71 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 2.04 2.15 0.00 20 P 0.00 4.27 0.00 2.06 2.04 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 21 L 8.34 4.03 0.00 1.60 1.49 0.28 0.59 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 22 T 8.19 4.22 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 1.19 0.00 0.00 23 D 8.61 4.36 0.00 2.70 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 24 E 8.09 3.94 0.00 2.02 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 2.35 2.39 0.00 25 Q 7.95 3.92 0.00 2.31 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 26 I 8.09 3.73 2.06 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.71 1.08 0.00 0.00 27 A 8.23 4.02 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 28 A 8.07 3.96 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 29 Q 8.06 4.11 0.00 2.52 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.36 1.91 0.00 30 V 8.22 3.74 2.30 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 1.13 0.00 0.00 1.07 0.00 0.00 31 D 8.56 4.44 0.00 2.96 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 32 Y 8.03 4.16 0.00 3.23 3.34 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 33 I 7.91 3.95 2.15 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 1.69 1.44 1.10 0.00 0.00 34 V 7.82 3.53 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 1.00 0.00 0.00 0.96 0.00 0.00 35 A 8.05 3.93 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 36 N 7.06 4.09 0.00 1.44 1.42 0.00 0.00 7.03 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 37 G 7.28 3.76 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 0.00 38 W 7.40 4.95 0.00 3.39 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 I 8.98 4.39 2.11 0.00 0.00 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 1.48 0.87 0.71 0.00 0.00 40 P 0.00 4.89 0.00 2.09 1.98 0.00 3.81 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 41 C 8.76 4.97 0.00 3.07 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 42 L 8.73 5.33 0.00 1.86 1.63 0.88 0.85 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 43 E 9.15 5.61 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 44 F 9.14 5.64 0.00 3.05 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 45 A 8.27 4.52 -0.23 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 46 E 8.65 4.27 0.00 2.18 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 0.00 2.30 2.28 0.00 47 A 8.86 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.14 4.54 0.00 2.70 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 49 K 7.94 4.58 0.00 1.50 1.69 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.43 7.81 50 A 7.55 3.94 0.57 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 51 Y 7.41 4.65 0.00 2.92 2.75 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 52 V 8.41 3.80 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 0.62 0.00 0.00 0.79 0.00 0.00 53 S 8.91 4.80 0.00 4.07 3.99 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 54 N 8.55 5.25 0.00 2.76 2.83 0.00 0.00 6.59 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 55 E 8.28 3.99 0.00 2.15 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 0.00 2.39 2.37 0.00 56 S 8.71 4.06 0.00 3.94 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 57 A 7.54 2.58 1.12 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 0.00 0.00 58 I 6.94 3.58 1.78 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 1.48 0.81 0.85 0.00 0.00 59 R 7.43 4.31 0.00 1.94 2.01 0.00 3.20 0.00 0.00 3.23 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 60 F 7.15 5.03 0.00 2.99 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 61 G 8.26 4.02 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 0.00 0.00 0.00 62 S 8.44 4.62 0.00 3.86 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.29 4.43 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 0.67 0.00 0.00 0.50 0.00 0.00 64 S 8.20 4.55 0.00 4.13 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 0.00 65 C 8.08 4.05 0.00 2.97 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 66 L 8.43 3.59 0.00 1.77 1.76 0.94 0.99 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 67 Y 7.74 4.39 0.00 2.93 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 68 Y 7.18 4.86 0.00 2.79 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 69 D 8.80 4.49 0.00 2.80 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 70 N 8.91 4.47 0.00 3.05 3.25 0.00 0.00 6.99 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 71 R 7.99 3.95 0.00 1.51 1.69 0.00 3.08 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 72 Y 7.70 4.36 0.00 3.05 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 73 W 8.68 5.07 0.00 3.08 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 74 T 8.17 4.30 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 0.93 0.00 0.00 75 M 8.50 4.62 0.00 2.08 2.03 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 2.70 2.77 0.00 76 W 9.50 4.73 0.00 3.69 3.30 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 77 K 8.54 3.42 0.00 1.69 0.81 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.70 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.82 0.21 7.81 78 L 8.25 4.93 0.00 1.61 1.60 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.36 0.00 0.65 1.85 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.16 0.00 80 M 8.73 4.31 0.00 2.04 2.01 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 2.62 2.54 0.00 81 F 7.48 4.49 0.00 3.10 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 82 G 9.18 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 0.00 0.00 0.00 83 C 7.82 4.32 0.00 3.04 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 84 R 8.62 4.55 0.00 1.80 1.86 0.00 3.21 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 85 D 7.88 4.81 0.00 2.72 2.54 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 0.00 0.00 0.00 0.00 86 P 0.00 4.35 0.00 2.33 2.34 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 87 M 8.23 4.13 0.00 2.10 2.29 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.70 0.00 88 Q 8.03 3.99 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 89 V 7.73 3.62 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 1.04 0.00 0.00 0.97 0.00 0.00 90 L 8.00 4.02 0.00 1.91 1.72 0.95 0.83 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 91 R 8.24 3.99 0.00 2.04 2.01 0.00 3.15 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 92 E 8.12 4.10 0.00 2.24 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 0.00 2.62 2.67 0.00 93 I 7.83 3.48 1.99 0.00 0.00 0.86 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 0.81 0.84 0.00 0.00 94 V 7.62 3.47 2.20 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 0.97 0.00 0.00 0.93 0.00 0.00 95 A 8.09 3.92 1.52 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 96 C 7.77 2.00 0.00 1.23 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 0.00 0.00 0.00 0.00 97 T 7.56 3.76 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 1.11 0.00 0.00 98 K 7.58 3.82 0.00 1.79 1.98 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.38 7.81 99 A 7.51 3.98 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 0.00 100 F 7.75 4.72 0.00 2.79 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 0.00 101 P 0.00 4.44 0.00 2.12 2.11 0.00 3.25 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.87 0.00 102 D 8.06 4.66 0.00 2.68 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 0.00 103 A 7.34 4.75 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 0.00 104 Y 8.64 4.25 0.00 2.50 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 0.00 105 V 9.00 5.21 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 0.98 0.00 0.00 0.88 0.00 0.00 106 R 9.46 4.99 0.00 1.84 1.90 0.00 2.34 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.34 0.00 107 L 8.10 4.82 0.00 1.48 0.73 0.91 0.70 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 0.00 108 V 8.67 4.89 1.64 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 0.53 0.00 0.00 0.50 0.00 0.00 109 A 7.97 4.97 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 110 F 9.06 5.24 0.00 2.99 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 0.00 111 D 8.76 5.39 0.00 2.35 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 0.00 112 N 9.17 4.77 0.00 2.94 3.05 0.00 0.00 6.30 7.39 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 0.00 113 Q 8.85 4.21 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.06 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 114 K 8.26 4.00 0.00 1.75 1.87 0.00 2.07 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.46 7.81 115 Q 8.03 3.50 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 116 V 7.76 4.50 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 0.56 0.00 0.00 0.91 0.00 0.00 117 Q 8.77 4.38 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.89 0.00 0.00 0.00 0.00 0.00 2.21 1.97 0.00 118 I 8.18 4.19 1.20 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.18 -0.61 0.00 0.00 119 M 6.67 4.59 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.80 0.00 120 G 8.23 4.80 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 0.00 121 F 7.13 5.05 0.00 3.22 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 0.00 122 L 8.85 4.42 0.00 1.60 1.62 0.61 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.91 4.48 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 0.89 0.00 0.00 124 Q 7.85 4.58 0.00 1.99 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 125 R 8.20 4.32 0.00 1.17 1.53 0.00 2.44 0.00 0.00 2.96 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.33 0.00 126 P 0.00 4.19 0.00 2.11 2.16 0.00 2.20 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 127 K 8.45 4.12 0.00 1.75 1.91 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.39 7.81 128 T 7.75 4.12 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 1.21 0.00 0.00 129 A 7.81 4.20 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.83 4.61 0.00 1.81 1.91 0.00 3.20 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 131 D 8.27 4.96 0.00 2.93 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 0.00 132 F 7.71 5.39 0.00 3.18 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 0.00 133 Q 8.37 4.46 0.00 1.87 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.01 0.00 0.00 0.00 0.00 0.00 2.29 2.02 0.00 134 P 0.00 4.36 0.00 2.37 2.14 0.00 3.55 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.87 0.00 135 A 8.75 3.91 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 0.00 136 N 8.03 4.76 0.00 2.83 2.92 0.00 0.00 5.81 7.13 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 0.00 137 K 7.87 4.49 0.00 1.59 1.67 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.28 1.42 7.81 138 R 7.70 3.68 0.00 1.36 0.66 0.00 3.09 0.00 0.00 3.43 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.59 0.00 139 S 7.72 5.12 0.00 3.96 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 0.00 140 V 8.71 4.07 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 0.59 0.00 0.00 0.96 0.00 0.00