NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2047 8.1727 120.1256 56.8386 34.9026 173.9670 2 V 4.5529 8.0078 121.0844 60.7191 32.3768 174.6177 3 F 4.5261 10.2374 129.3006 57.5487 40.2094 174.8916 4 E 4.1764 9.2410 121.3401 55.6645 30.8015 176.9451 5 R 3.1588 8.9402 121.7132 60.8483 30.0774 179.3977 6 C 4.3285 7.9816 115.3815 59.6044 38.6229 175.7621 7 E 3.8892 8.0736 120.7747 59.2384 29.3590 178.4889 8 L 3.4128 8.0002 120.1717 57.7838 42.0369 178.5833 9 A 3.9409 7.8243 120.7267 55.4546 18.2641 179.9271 10 R 3.9196 7.9044 116.2063 59.4738 29.9783 179.4385 11 T 3.8381 7.7836 115.7090 66.5887 68.4277 176.7539 12 L 3.8464 8.2751 121.2762 57.4383 41.6151 179.4368 13 K 3.8868 7.9838 119.6099 59.7257 31.9716 179.1577 14 R 4.0101 7.9608 116.9298 58.7185 29.9199 177.9621 15 L 4.4502 7.2516 117.2045 54.0689 41.6520 176.9068 16 G 3.8954 7.8346 106.3803 46.9561 0.0000 175.4577 17 M 3.9258 7.8546 121.9757 56.8644 32.2860 175.8468 18 D 4.6421 8.0576 117.9705 55.6754 41.4124 175.7622 19 G 3.9358 9.3452 115.2237 45.7431 0.0000 171.5816 20 Y 4.2405 8.3991 122.1046 58.5703 38.9615 176.3299 21 R 3.5994 8.8167 126.3542 57.2871 27.7539 177.0364 22 G 3.7874 7.9492 102.5577 45.9945 0.0000 174.0705 23 I 4.0524 7.5825 121.9403 59.1237 37.7731 176.0197 24 S 4.6533 8.2832 120.8520 57.9705 64.9229 174.9073 25 L 4.2330 8.4661 123.2686 58.3415 41.8186 178.9029 26 A 4.2080 8.1483 120.2450 55.0541 18.1787 179.3557 27 N 4.3880 7.8337 114.4631 56.4200 38.6505 177.5892 28 W 4.2515 7.6994 120.2042 60.1964 29.1152 178.5582 29 M 4.2185 8.6940 119.0808 58.5168 31.4222 178.0180 30 C 3.2740 7.9703 118.7475 58.9439 43.5923 175.3828 31 L 3.9737 8.3291 122.1500 58.1748 41.7994 178.5632 32 A 4.3140 8.4067 122.2444 54.5830 18.2863 179.1186 33 K 2.7429 8.0944 117.7541 59.5531 31.9687 179.1080 34 W 4.2683 7.8880 118.4114 59.3679 29.0544 178.4740 35 E 4.3185 8.4756 118.7658 58.8274 28.9954 177.9156 36 S 4.5637 8.0558 110.3885 56.6321 64.5252 174.6375 37 G 3.9342 7.9782 108.9101 46.7471 0.0000 172.8432 38 Y 3.6607 7.7219 113.3065 58.9726 35.3786 168.9658 39 N 5.4383 7.6148 118.5540 51.9834 40.6491 175.1785 40 T 4.2704 8.9191 117.1212 64.0305 69.3405 176.5693 41 R 4.1806 7.9524 119.2281 57.1030 30.7004 176.5462 42 A 4.2450 7.5531 120.1785 52.8855 19.1412 176.7581 43 T 5.5104 8.3543 111.4165 59.0690 72.4481 173.0738 44 N 4.9086 8.2866 121.4311 52.3271 42.1105 172.2963 45 Y 4.7960 8.7665 127.6511 57.2594 40.8489 173.8188 46 N 4.6917 8.5148 124.1776 51.1593 39.2620 175.2276 47 A 3.6768 8.3707 127.8415 54.8269 18.9097 178.9470 48 G 3.8048 8.0951 104.0658 48.1538 0.0000 173.6959 49 D 4.7313 7.4192 114.6286 51.7172 40.3648 175.3415 50 R 3.8100 8.2510 116.9688 57.0730 28.1883 175.7141 51 S 4.9868 7.6266 110.2155 56.8760 66.9296 172.8209 52 T 5.0731 8.6225 115.7847 61.9481 72.6774 172.9220 53 D 5.4048 8.9902 125.9339 53.5706 42.8240 175.0995 54 Y 5.0622 9.0675 120.8558 57.3365 41.7038 177.4317 55 G 4.4877 9.0908 112.1530 45.5516 0.0000 173.5736 56 I 4.0751 8.1056 116.5109 62.9719 37.7018 177.3387 57 F 4.9362 7.9316 115.2214 56.5475 39.8792 175.3772 58 Q 3.6022 8.0569 119.1152 57.1105 26.4162 173.5229 59 I 4.4110 8.2164 119.3554 60.8102 39.3963 176.3889 60 N 5.2760 9.1342 125.8844 53.2679 38.2996 175.8646 61 S 4.6282 9.2744 120.9294 60.6117 63.8696 176.2708 62 R 3.8372 8.5666 121.4967 58.6321 30.2897 177.9188 63 Y 4.2538 7.5519 113.8656 58.1060 40.8576 176.8898 64 W 4.8207 8.5925 119.0452 57.4933 31.3111 174.1483 65 C 5.6547 8.2266 112.2956 53.5441 46.4200 172.4138 66 N 5.0601 8.8677 118.9978 51.9881 40.3128 174.6919 67 D 4.8743 8.7494 123.9410 52.3220 40.3311 178.4152 68 G 4.0936 8.3670 109.8330 46.1769 0.0000 174.8609 69 K 4.3860 7.9613 116.1617 56.7253 33.3264 176.2331 70 T 4.4309 7.6106 117.7203 62.0510 69.0327 173.1491 71 P 4.1909 0.0000 0.0000 63.6974 32.1298 176.8900 72 G 3.9610 8.0364 106.5942 46.0506 0.0000 174.2577 73 A 4.6246 7.3486 123.4030 50.7671 20.8832 177.6344 74 V 4.3874 8.1083 111.9214 59.5446 35.9734 176.2926 75 N 4.9578 8.1919 117.9610 51.9026 38.0205 174.3950 76 A 3.9431 9.0066 125.4596 54.3447 19.0385 178.4016 77 C 4.5420 8.6788 111.7908 56.9800 41.3665 173.1142 78 H 4.1049 7.6399 115.9262 56.3024 26.1245 173.7868 79 L 4.7414 8.3909 118.7105 53.0063 46.6809 176.3839 80 S 4.6564 8.3864 115.2857 58.1518 63.3462 176.0101 81 C 4.2249 8.7278 123.9862 59.3186 38.3551 176.3828 82 S 3.9174 7.6944 115.3018 61.1991 62.0737 175.8520 83 A 4.0882 7.9351 123.2214 54.4783 17.9463 178.5422 84 L 4.5011 7.6590 115.8531 55.2749 41.5954 177.7142 85 L 5.0564 7.7811 118.2238 54.4699 42.4458 176.7370 86 Q 4.3262 7.4869 116.9381 55.4902 29.3693 176.1883 87 D 4.3571 8.5261 120.0394 57.1237 41.1321 176.7467 88 N 4.5700 8.0157 118.2265 53.1952 39.1706 174.5419 89 I 4.2582 8.4537 119.0625 61.1474 37.9750 177.0874 90 A 3.9562 8.4185 125.2503 55.8460 18.1494 180.2032 91 D 4.2617 8.0558 116.5575 57.4321 40.9871 178.5996 92 A 4.0990 7.9878 120.8335 55.2559 18.4281 179.7291 93 V 3.4718 8.2980 116.9591 66.0025 31.5765 178.1370 94 A 3.8658 8.1313 120.6895 55.1449 18.0788 178.8775 95 C 4.2128 8.3331 116.8862 59.7333 44.7844 175.5049 96 A 4.0102 8.3717 122.8334 55.2078 17.5804 179.8166 97 K 3.8812 7.6691 116.1136 59.4512 32.3167 179.1905 98 R 4.0930 7.8520 119.0563 59.3177 30.1337 178.5512 99 V 2.4161 7.6901 118.2718 65.8406 31.2360 178.0421 100 V 3.9519 7.6912 108.4870 62.6459 31.5958 177.7483 101 R 4.2284 7.6326 117.0377 56.5950 30.6584 176.2768 102 D 4.7645 7.4496 119.3213 52.6365 42.1067 175.4848 103 P 4.2292 0.0000 0.0000 66.1407 31.6833 178.0203 104 Q 4.0297 8.2305 116.4724 56.9265 29.9185 177.3669 105 G 3.7119 8.0567 107.0468 46.0270 0.0000 176.1091 106 I 3.4961 7.7634 120.4286 63.4962 37.8613 177.6879 107 R 4.2953 7.2709 117.0908 57.5029 29.9769 177.4509 108 A 4.1444 7.6689 120.9658 53.8415 18.7440 177.7620 109 W 4.5498 8.1467 117.3102 55.5770 29.1895 176.7509 110 L 4.0503 8.9778 126.1704 58.3717 41.4221 178.5374 111 A 4.0394 8.3081 120.0437 54.9704 18.2998 179.1292 112 W 4.0208 8.4059 126.5899 60.6369 30.0234 178.3851 113 R 3.6993 8.2283 117.4089 59.4390 29.4115 178.6969 114 N 4.3164 7.7240 114.6173 55.4811 38.6469 176.7705 115 R 4.1450 7.6536 115.9468 55.8696 31.4462 175.9144 116 C 4.4804 7.8395 115.2778 57.8015 42.7712 174.4595 117 Q 3.1224 5.7400 116.2237 57.1486 28.7346 175.5117 118 N 4.2288 8.6659 120.7265 54.4375 36.2102 174.0352 119 R 4.5612 7.2745 114.6655 53.9517 33.6911 175.6326 120 D 4.4720 8.5792 119.4399 54.7854 40.3711 175.7524 121 V 4.6238 8.2142 119.0692 61.2337 32.3513 178.3667 122 R 4.0215 8.1959 122.8796 59.4687 29.7887 179.0226 123 Q 4.0381 8.1868 115.0923 59.1076 28.4665 178.3777 124 Y 3.9590 7.7519 115.4868 60.1297 38.2314 176.8496 125 V 4.3253 7.9031 111.0078 60.7604 33.0793 175.6459 126 Q 4.1233 7.3965 120.0013 57.5173 28.7204 177.3065 127 G 3.9494 8.9149 110.3725 46.0165 0.0000 174.4932 128 C 4.4171 8.0989 116.0305 56.7704 40.5894 173.9188 129 G 3.8479 8.0913 107.2390 46.8266 0.0000 174.1755 130 V 4.0000 7.9018 118.0288 61.0702 32.0109 175.9128 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 K 8.17 4.20 0.00 1.60 1.84 0.00 1.05 0.00 0.00 1.07 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 0.96 7.81 2 V 8.01 4.55 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 0.88 0.00 0.00 0.94 0.00 0.00 3 F 10.24 4.53 0.00 2.96 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 4 E 9.24 4.18 0.00 1.96 1.86 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 2.31 2.40 0.00 5 R 8.94 3.16 0.00 1.87 1.87 0.00 3.36 0.00 0.00 3.41 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 6 C 7.98 4.33 0.00 2.99 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 7 E 8.07 3.89 0.00 2.07 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 2.73 2.48 0.00 8 L 8.00 3.41 0.00 1.27 1.35 -0.16 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.82 3.94 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 10 R 7.90 3.92 0.00 1.89 1.98 0.00 3.13 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 11 T 7.78 3.84 4.17 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 0.00 0.00 0.00 1.18 0.00 0.00 12 L 8.28 3.85 0.00 1.69 1.57 0.95 0.48 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 13 K 7.98 3.89 0.00 1.94 1.93 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.44 1.50 7.81 14 R 7.96 4.01 0.00 1.79 1.96 0.00 3.20 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 15 L 7.25 4.45 0.00 1.56 1.56 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.83 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 17 M 7.85 3.93 0.00 1.32 1.97 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.22 0.00 18 D 8.06 4.64 0.00 2.67 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 19 G 9.35 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.40 4.24 0.00 3.35 3.24 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 21 R 8.82 3.60 0.00 1.90 1.85 0.00 3.38 0.00 0.00 2.99 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.60 0.00 22 G 7.95 3.79 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 0.00 0.00 0.00 23 I 7.58 4.05 1.67 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.86 -0.27 0.00 0.00 24 S 8.28 4.65 0.00 4.10 4.04 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 25 L 8.47 4.23 0.00 2.08 1.80 0.99 1.37 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 26 A 8.15 4.21 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 27 N 7.83 4.39 0.00 2.90 2.77 0.00 0.00 6.89 7.55 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 28 W 7.70 4.25 0.00 3.47 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 29 M 8.69 4.22 0.00 2.19 2.36 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.90 0.00 30 C 7.97 3.27 0.00 2.44 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 31 L 8.33 3.97 0.00 1.75 1.83 0.70 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.41 4.31 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.09 2.74 0.00 1.72 1.73 0.00 0.61 0.00 0.00 1.09 0.00 0.00 2.62 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.11 0.41 7.81 34 W 7.89 4.27 0.00 3.36 3.27 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 0.00 35 E 8.48 4.32 0.00 2.07 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 2.59 2.46 0.00 36 S 8.06 4.56 0.00 4.11 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 37 G 7.98 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 38 Y 7.72 3.66 0.00 3.27 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 39 N 7.61 5.44 0.00 2.67 2.77 0.00 0.00 7.03 7.10 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 40 T 8.92 4.27 4.44 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 1.39 0.00 0.00 41 R 7.95 4.18 0.00 2.01 2.05 0.00 3.18 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 42 A 7.55 4.24 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 43 T 8.35 5.51 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 1.34 0.00 0.00 44 N 8.29 4.91 0.00 3.00 2.66 0.00 0.00 6.75 7.56 0.00 0.00 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 Y 8.77 4.80 0.00 2.97 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 46 N 8.51 4.69 0.00 2.60 2.57 0.00 0.00 6.70 7.16 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 47 A 8.37 3.68 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 48 G 8.10 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 49 D 7.42 4.73 0.00 2.68 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 50 R 8.25 3.81 0.00 2.00 2.20 0.00 3.11 0.00 0.00 3.21 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.53 0.00 51 S 7.63 4.99 0.00 3.82 3.85 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 52 T 8.62 5.07 4.13 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 0.64 0.00 0.00 53 D 8.99 5.40 0.00 2.70 2.60 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 0.00 0.00 0.00 54 Y 9.07 5.06 0.00 2.94 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 55 G 9.09 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 56 I 8.11 4.08 1.70 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.93 0.08 0.00 0.00 57 F 7.93 4.94 0.00 3.26 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 58 Q 8.06 3.60 0.00 2.58 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.80 0.00 0.00 0.00 0.00 0.00 2.55 2.68 0.00 59 I 8.22 4.41 2.13 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 1.40 1.05 1.13 0.00 0.00 60 N 9.13 5.28 0.00 3.08 3.05 0.00 0.00 6.97 7.63 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 61 S 9.27 4.63 0.00 4.10 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 0.00 62 R 8.57 3.84 0.00 1.57 1.49 0.00 2.70 0.00 0.00 2.90 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.09 0.00 63 Y 7.55 4.25 0.00 2.21 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 0.00 0.00 0.00 64 W 8.59 4.82 0.00 3.38 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 65 C 8.23 5.65 0.00 3.06 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 66 N 8.87 5.06 0.00 2.86 2.70 0.00 0.00 7.09 8.11 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 67 D 8.75 4.87 0.00 2.95 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 68 G 8.37 4.09 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 69 K 7.96 4.39 0.00 1.91 1.94 0.00 1.62 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.47 7.81 70 T 7.61 4.43 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 1.19 0.00 0.00 71 P 0.00 4.19 0.00 2.15 1.97 0.00 3.61 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 2.12 2.11 0.00 72 G 8.04 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 0.00 0.00 0.00 73 A 7.35 4.62 1.22 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 74 V 8.11 4.39 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.91 0.00 0.00 75 N 8.19 4.96 0.00 2.78 2.63 0.00 0.00 6.77 8.43 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 76 A 9.01 3.94 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 77 C 8.68 4.54 0.00 3.18 3.23 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 78 H 7.64 4.10 0.00 3.29 3.35 0.00 5.83 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.39 4.74 0.00 1.69 1.50 1.00 0.70 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 80 S 8.39 4.66 0.00 3.83 3.69 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 81 C 8.73 4.22 0.00 2.36 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 82 S 7.69 3.92 0.00 3.78 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 83 A 7.94 4.09 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 84 L 7.66 4.50 0.00 1.97 1.84 1.07 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.78 5.06 0.00 1.74 1.71 1.09 1.04 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 86 Q 7.49 4.33 0.00 2.28 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.99 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 87 D 8.53 4.36 0.00 2.61 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 88 N 8.02 4.57 0.00 2.69 2.75 0.00 0.00 6.95 7.94 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 89 I 8.45 4.26 1.77 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.99 1.09 0.00 0.00 90 A 8.42 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 91 D 8.06 4.26 0.00 2.75 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 92 A 7.99 4.10 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 93 V 8.30 3.47 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 0.71 0.00 0.00 0.94 0.00 0.00 94 A 8.13 3.87 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 95 C 8.33 4.21 0.00 3.17 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 96 A 8.37 4.01 0.84 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 97 K 7.67 3.88 0.00 1.66 1.42 0.00 1.29 0.00 0.00 0.77 0.00 0.00 2.32 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.30 0.97 7.81 98 R 7.85 4.09 0.00 2.00 2.16 0.00 3.30 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 99 V 7.69 2.42 1.95 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 -0.27 0.00 0.00 -0.54 0.00 0.00 100 V 7.69 3.95 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 1.06 0.00 0.00 1.50 0.00 0.00 101 R 7.63 4.23 0.00 2.03 2.05 0.00 3.25 0.00 0.00 3.43 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.18 0.00 102 D 7.45 4.76 0.00 3.03 2.62 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 0.00 0.00 0.00 0.00 103 P 0.00 4.23 0.00 2.02 2.14 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 104 Q 8.23 4.03 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.82 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 105 G 8.06 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 0.00 0.00 0.00 106 I 7.76 3.50 0.90 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.15 -0.99 0.00 0.00 107 R 7.27 4.30 0.00 2.01 2.03 0.00 3.23 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.51 0.00 108 A 7.67 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.15 4.55 0.00 3.50 3.27 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 0.00 110 L 8.98 4.05 0.00 1.83 1.78 0.98 1.04 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 0.00 111 A 8.31 4.04 1.53 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 0.00 0.00 0.00 112 W 8.41 4.02 0.00 3.48 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 0.00 113 R 8.23 3.70 0.00 2.10 1.98 0.00 3.26 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 114 N 7.72 4.32 0.00 2.45 2.71 0.00 0.00 6.97 8.75 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 0.00 115 R 7.65 4.14 0.00 1.18 0.86 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.04 0.00 116 C 7.84 4.48 0.00 1.33 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 0.00 117 Q 5.74 3.12 0.00 0.93 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.82 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 118 N 8.67 4.23 0.00 2.81 2.83 0.00 0.00 6.82 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 0.00 119 R 7.27 4.56 0.00 1.78 1.77 0.00 3.15 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 120 D 8.58 4.47 0.00 2.65 2.65 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 0.00 0.00 0.00 121 V 8.21 4.62 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 0.95 0.00 0.00 1.03 0.00 0.00 122 R 8.20 4.02 0.00 1.94 2.02 0.00 3.16 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 123 Q 8.19 4.04 0.00 2.07 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.91 0.00 0.00 0.00 0.00 0.00 2.16 1.65 0.00 124 Y 7.75 3.96 0.00 3.25 3.18 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 0.00 125 V 7.90 4.33 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 0.99 0.00 0.00 1.07 0.00 0.00 126 Q 7.40 4.12 0.00 1.86 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.76 0.00 0.00 0.00 0.00 0.00 2.59 2.46 0.00 127 G 8.91 3.95 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 0.00 0.00 0.00 128 C 8.10 4.42 0.00 3.08 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 0.00 129 G 8.09 3.85 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 0.00 0.00 0.00 130 V 7.90 4.00 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 0.81 0.00 0.00 0.96 0.00 0.00