NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.1836 8.3101 121.7892 56.6432 33.4311 176.1863 6 A 4.4058 8.1278 124.6699 49.9445 17.4749 174.4861 7 Q 4.6500 7.8765 118.5909 53.8281 34.3416 172.6334 8 E 4.7485 8.4237 119.7565 54.8732 33.3508 174.2155 9 I 4.3606 8.1067 126.1562 59.7390 39.5277 174.5238 10 I 4.2662 8.2422 128.3376 59.4432 38.7683 175.2246 11 L 4.8196 8.2606 127.0418 52.9042 45.3576 176.3419 12 S 4.8303 8.3668 115.0626 57.8456 65.2547 173.4271 13 C 5.1830 8.9633 124.3248 55.1607 42.1100 172.5516 14 E 5.7784 8.1245 115.6643 54.2487 33.6287 175.3622 15 I 4.1299 8.3217 123.5816 61.3265 38.4278 175.8091 16 N 4.7176 9.7524 126.2725 54.6245 38.4337 175.1897 17 S 4.5735 7.6253 111.1063 57.4880 66.6528 173.1266 18 I 4.6628 8.4733 124.3224 60.2422 37.0751 174.2728 19 E 4.7908 8.7205 126.3112 54.1154 32.8476 176.2635 20 R 4.4394 8.7494 122.6778 55.8008 30.8714 177.6491 21 G 4.1118 8.4740 116.4046 46.1400 0.0000 175.3931 22 S 4.4550 8.6668 114.9929 60.0536 64.2144 175.4877 23 L 4.1997 7.5568 119.2847 53.8181 42.1228 176.9812 24 K 4.1454 8.3451 120.5238 57.5160 32.8152 177.0828 25 N 5.0419 8.8310 115.5094 53.7189 36.0937 173.1814 26 L 5.0646 7.4681 117.6599 53.5239 45.0674 175.3114 27 S 5.1120 8.8977 122.2170 56.7527 66.8335 173.1450 28 I 5.1901 8.4897 125.0870 59.6626 38.8886 174.9954 29 I 4.0902 8.2927 128.2711 60.2984 38.2050 174.1476 30 H 4.8575 8.5508 125.7461 55.0300 30.2698 174.6054 31 M 5.2174 9.0129 123.2793 52.2501 35.3573 175.0353 32 S 5.3860 8.2203 119.5322 57.5953 64.5228 173.2202 33 C 4.8411 8.7753 124.8328 54.2286 44.4750 172.8087 34 N 4.5247 8.4871 117.7667 53.5120 36.7263 175.4072 35 D 4.6173 8.9044 120.6324 54.8016 39.0180 175.1722 36 F 4.9207 7.5601 116.9547 55.7156 39.5650 172.9354 37 N 4.6889 8.7735 118.8676 53.4295 39.8951 175.0704 38 I 5.4749 8.8372 124.6912 59.1724 41.2287 174.5422 39 S 5.2389 7.8633 114.4343 58.6236 65.7456 174.1937 40 F 5.6366 8.2194 120.9175 56.3530 42.1154 173.9104 41 D 5.2161 8.0821 120.4469 53.0685 42.2671 176.3959 42 I 4.5771 8.2937 123.2199 59.5413 41.3602 174.7861 43 I 4.8934 8.0926 126.2878 59.7248 38.8810 176.8516 44 D 4.4561 8.7675 125.4513 57.4956 41.0043 179.1836 45 S 4.2168 7.9784 112.1627 61.0426 63.1333 175.2055 46 I 3.8209 7.2756 119.0601 61.6118 37.0314 174.2500 47 N 4.3982 7.9863 122.4191 52.5694 38.9080 174.2875 48 I 4.8534 7.9056 120.5585 60.2935 39.9218 173.5187 49 F 4.9817 8.7860 121.6513 57.5546 40.9654 174.0345 50 S 4.8123 7.9732 116.6961 57.3486 64.4565 175.4763 51 Q 4.1217 8.7568 121.4119 58.2172 28.4731 177.0226 52 K 4.8447 7.7174 117.9951 53.5671 34.9578 174.9291 53 E 4.8076 8.5992 126.9943 54.8073 33.3262 173.9782 54 K 4.8655 8.7815 126.8936 56.4916 32.8749 176.6842 55 V 4.7267 8.9100 123.5218 60.4531 34.8520 173.5614 56 K 5.0286 9.0238 121.3784 54.8181 35.2722 175.4826 57 A 4.6746 8.9503 125.3649 50.3472 21.1672 174.8808 58 F 4.8589 8.9056 120.5843 57.5374 40.7800 175.4223 59 I 5.4545 8.6869 124.3833 58.5336 39.9234 174.2955 60 S 4.8833 8.4477 120.6607 55.9262 66.8865 173.4807 61 K 4.8971 8.2936 120.0411 55.6674 31.9947 177.4122 62 N 4.6817 7.6015 112.1503 53.1191 42.7998 175.4255 63 R 2.9797 6.9098 122.0760 52.5802 28.4903 172.9591 64 L 3.6652 7.2293 126.3173 53.8970 43.2618 174.7748 65 S 4.4507 8.3840 118.8186 58.4454 63.6367 172.6664 66 Y 5.0064 8.2889 119.7623 55.6866 41.3494 174.0171 67 T 4.5128 8.8671 114.9404 61.4235 72.3308 175.1443 68 N 4.2453 8.7417 120.9283 56.5240 38.6421 175.5800 69 D 4.7098 7.9261 116.1296 54.4163 40.7682 174.8179 70 D 4.9954 7.9368 119.3774 52.5837 45.3487 174.4780 71 F 4.9782 8.9585 120.8350 57.3045 41.6927 173.8479 72 C 4.7494 8.1141 122.4846 58.2182 32.1863 173.6985 73 G 4.0309 7.8705 105.4580 46.8724 0.0000 171.6565 74 H 4.7121 8.5429 113.9440 54.4059 31.0931 173.8604 75 G 3.8268 8.3642 108.6203 46.4557 0.0000 169.5995 76 Y 5.3415 8.8451 118.9034 57.1453 42.6711 174.0428 77 I 5.1133 8.4619 118.8720 60.5751 41.4432 175.2294 78 V 4.5805 8.8187 124.8958 61.8687 35.3386 173.9339 79 T 5.0372 8.3366 122.3296 62.2194 71.6561 171.7823 80 E 4.8596 7.6930 119.2003 56.5941 37.4300 175.7990 81 L 4.7047 7.4401 119.9989 52.8771 44.0876 176.3199 82 K 4.5063 7.3046 116.2261 55.7951 35.7071 174.5847 83 D 4.7902 8.5778 121.8576 54.5037 43.3476 175.6628 84 S 5.0941 9.0365 115.4846 58.7615 65.3057 173.8423 85 S 5.2600 8.8423 120.1659 56.7310 66.1706 172.8732 86 S 5.0363 8.8135 115.6426 56.8141 65.1730 173.0474 87 N 4.9656 9.5299 125.7181 52.8235 37.7532 175.4542 88 N 4.2740 8.6547 126.4274 53.5870 36.0332 172.9483 89 G 3.6494 8.0345 114.2628 45.7531 0.0000 173.5485 90 N 4.3889 8.3198 118.4911 52.5843 39.3487 173.9973 91 R 4.5800 8.4162 122.1229 55.0123 32.8803 175.1757 92 Y 5.4890 8.4418 119.8129 55.0912 40.7403 174.2689 93 I 4.3058 8.2665 125.6972 61.3729 39.0074 175.2793 94 T 4.7440 8.6298 123.6649 61.8202 70.2283 172.5147 95 I 4.4339 8.8182 128.1671 60.5149 38.7777 175.1568 96 I 4.3567 7.9837 126.3185 59.3934 39.9652 175.4598 97 S 4.1607 8.8433 122.9390 61.3627 62.9265 174.7545 98 L 3.9905 7.7663 115.9531 55.1635 44.2214 171.5452 99 F 3.5975 8.7026 127.6838 57.9349 35.9525 174.3231 100 G 4.0541 8.3338 112.3978 45.6213 0.0000 170.8329 101 L 4.3097 9.0850 122.3332 55.6121 39.6955 176.6705 102 L 4.5792 7.8091 114.0982 55.0150 41.6594 178.4502 103 V 3.7994 7.6697 119.4781 64.1483 31.5802 176.6216 104 K 4.4686 7.6736 118.7499 54.1978 34.0498 175.4819 105 I 3.7869 8.2255 123.3393 61.8378 36.0186 174.3729 106 I 4.4499 7.8161 123.6275 59.3672 39.7724 174.9943 107 S 4.6619 8.1564 120.3940 58.1653 66.5402 173.4361 108 N 5.0426 8.6093 116.8638 53.6839 38.9703 174.9766 109 K 4.7182 7.7730 119.1331 55.0654 34.9641 175.9204 110 E 3.8845 8.6034 121.5562 56.6582 30.4397 176.8401 111 S 4.7979 8.2186 119.0578 57.0687 67.3011 173.0114 112 F 4.7706 9.2465 121.9495 55.2891 40.5036 175.1952 113 L 4.1886 8.2396 127.9049 54.1594 42.2166 174.6678 114 K 4.2735 8.8637 127.1083 54.0594 32.2985 174.3713 115 I 4.4242 8.2066 123.8699 60.8955 38.6070 174.4137 116 H 5.3313 9.2537 124.2573 53.9242 31.3202 175.0849 117 Q 4.3712 8.7454 122.0661 56.5475 28.9818 175.5753 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 5 K 8.31 4.18 0.00 1.74 1.81 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.45 7.81 6 A 8.13 4.41 1.27 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 0.00 0.00 7 Q 7.88 4.65 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.66 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 8 E 8.42 4.75 0.00 1.93 1.76 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 2.26 2.40 0.00 9 I 8.11 4.36 2.01 0.00 0.00 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 1.17 0.47 0.79 0.00 0.00 10 I 8.24 4.27 1.70 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.74 0.49 0.00 0.00 11 L 8.26 4.82 0.00 1.66 1.46 0.75 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.37 4.83 0.00 3.80 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 13 C 8.96 5.18 0.00 2.89 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 14 E 8.12 5.78 0.00 1.94 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 2.24 2.13 0.00 15 I 8.32 4.13 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.31 1.00 0.00 0.00 16 N 9.75 4.72 0.00 2.61 2.80 0.00 0.00 6.80 7.45 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 17 S 7.63 4.57 0.00 3.86 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 18 I 8.47 4.66 1.91 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 1.39 0.93 0.95 0.00 0.00 19 E 8.72 4.79 0.00 1.94 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 2.22 2.26 0.00 20 R 8.75 4.44 0.00 1.70 1.95 0.00 3.20 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 21 G 8.47 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 22 S 8.67 4.46 0.00 3.98 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 23 L 7.56 4.20 0.00 1.63 1.64 0.91 0.88 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 24 K 8.35 4.15 0.00 1.82 1.72 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.46 7.81 25 N 8.83 5.04 0.00 2.92 2.92 0.00 0.00 7.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.47 5.06 0.00 1.71 1.67 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.90 5.11 0.00 3.80 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 28 I 8.49 5.19 1.95 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 1.31 0.98 0.74 0.00 0.00 29 I 8.29 4.09 1.91 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 1.37 0.83 0.74 0.00 0.00 30 H 8.55 4.86 0.00 3.17 3.17 0.00 5.55 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 M 9.01 5.22 0.00 1.85 1.77 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.18 0.00 32 S 8.22 5.39 0.00 3.96 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 33 C 8.78 4.84 0.00 3.07 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 34 N 8.49 4.52 0.00 2.85 2.84 0.00 0.00 6.87 8.08 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 35 D 8.90 4.62 0.00 2.99 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 36 F 7.56 4.92 0.00 2.73 2.93 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 37 N 8.77 4.69 0.00 2.59 2.75 0.00 0.00 6.87 7.28 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 38 I 8.84 5.47 1.69 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 0.95 0.80 0.75 0.00 0.00 39 S 7.86 5.24 0.00 3.57 3.47 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 40 F 8.22 5.64 0.00 3.07 3.15 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 41 D 8.08 5.22 0.00 2.29 2.56 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 42 I 8.29 4.58 2.04 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.01 0.86 0.00 0.00 43 I 8.09 4.89 1.89 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 1.38 2.45 0.92 0.00 0.00 44 D 8.77 4.46 0.00 2.71 2.71 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 45 S 7.98 4.22 0.00 3.99 4.01 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 46 I 7.28 3.82 2.08 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.88 0.91 0.00 0.00 47 N 7.99 4.40 0.00 2.83 2.77 0.00 0.00 6.83 8.20 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 48 I 7.91 4.85 1.96 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 1.44 0.59 1.02 0.00 0.00 49 F 8.79 4.98 0.00 2.93 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 50 S 7.97 4.81 0.00 3.92 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 51 Q 8.76 4.12 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.53 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 52 K 7.72 4.84 0.00 1.73 1.68 0.00 1.64 0.00 0.00 0.61 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.39 7.81 53 E 8.60 4.81 0.00 2.15 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 2.39 2.41 0.00 54 K 8.78 4.87 0.00 1.73 1.79 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.47 7.81 55 V 8.91 4.73 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 0.86 0.00 0.00 1.28 0.00 0.00 56 K 9.02 5.03 0.00 1.93 1.45 0.00 1.67 0.00 0.00 1.32 0.00 0.00 2.75 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.39 7.81 57 A 8.95 4.67 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 58 F 8.91 4.86 0.00 3.16 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 59 I 8.69 5.45 1.86 0.00 0.00 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 1.08 1.35 0.91 0.00 0.00 60 S 8.45 4.88 0.00 3.87 3.65 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 61 K 8.29 4.90 0.00 1.79 1.83 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.45 7.81 62 N 7.60 4.68 0.00 2.78 2.67 0.00 0.00 7.01 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 63 R 6.91 2.98 0.00 1.54 1.55 0.00 3.06 0.00 0.00 2.90 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.61 0.00 64 L 7.23 3.67 0.00 1.77 1.45 0.98 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.38 4.45 0.00 3.99 3.83 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 66 Y 8.29 5.01 0.00 2.93 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 67 T 8.87 4.51 4.19 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 1.13 0.00 0.00 68 N 8.74 4.25 0.00 2.66 2.89 0.00 0.00 6.98 8.06 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 69 D 7.93 4.71 0.00 2.64 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 70 D 7.94 5.00 0.00 2.57 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 71 F 8.96 4.98 0.00 3.16 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 72 C 8.11 4.75 0.00 2.54 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 73 G 7.87 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 0.00 0.00 0.00 74 H 8.54 4.71 0.00 1.97 1.96 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.36 3.83 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 0.00 0.00 0.00 76 Y 8.85 5.34 0.00 2.80 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 77 I 8.46 5.11 2.06 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 1.29 0.62 1.01 0.00 0.00 78 V 8.82 4.58 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 0.96 0.00 0.00 0.96 0.00 0.00 79 T 8.34 5.04 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 1.26 0.00 0.00 80 E 7.69 4.86 0.00 2.07 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 2.25 0.00 81 L 7.44 4.70 0.00 1.55 1.64 0.88 0.76 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 82 K 7.30 4.51 0.00 2.00 1.82 0.00 1.49 0.00 0.00 1.73 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.40 7.81 83 D 8.58 4.79 0.00 2.88 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 84 S 9.04 5.09 0.00 3.94 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 85 S 8.84 5.26 0.00 4.25 4.14 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 S 8.81 5.04 0.00 3.90 3.78 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 87 N 9.53 4.97 0.00 3.09 2.85 0.00 0.00 6.79 6.94 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 88 N 8.65 4.27 0.00 2.79 3.00 0.00 0.00 7.25 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 89 G 8.03 3.65 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 0.00 0.00 0.00 90 N 8.32 4.39 0.00 2.75 2.66 0.00 0.00 7.10 8.98 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 91 R 8.42 4.58 0.00 1.61 1.71 0.00 3.15 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 92 Y 8.44 5.49 0.00 3.01 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 93 I 8.27 4.31 1.87 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 1.33 0.95 0.97 0.00 0.00 94 T 8.63 4.74 4.34 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 1.42 0.00 0.00 95 I 8.82 4.43 1.85 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 1.22 0.76 0.88 0.00 0.00 96 I 7.98 4.36 1.68 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 0.28 -0.07 0.74 0.00 0.00 97 S 8.84 4.16 0.00 3.80 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 98 L 7.77 3.99 0.00 1.49 1.53 0.76 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 99 F 8.70 3.60 0.00 3.21 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 0.00 100 G 8.33 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 0.00 101 L 9.09 4.31 0.00 1.94 1.94 1.07 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.81 4.58 0.00 1.71 1.74 0.96 0.94 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 0.00 103 V 7.67 3.80 2.21 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 0.84 0.00 0.00 0.99 0.00 0.00 104 K 7.67 4.47 0.00 1.87 1.82 0.00 1.54 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.43 7.81 105 I 8.23 3.79 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 1.31 0.81 0.93 0.00 0.00 106 I 7.82 4.45 2.23 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 1.44 1.14 0.97 0.00 0.00 107 S 8.16 4.66 0.00 3.87 3.77 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 0.00 108 N 8.61 5.04 0.00 2.72 2.86 0.00 0.00 6.75 7.61 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 0.00 109 K 7.77 4.72 0.00 1.66 1.82 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.48 7.81 110 E 8.60 3.88 0.00 1.76 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 1.78 1.59 0.00 111 S 8.22 4.80 0.00 3.89 3.84 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 0.00 112 F 9.25 4.77 0.00 2.99 2.90 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 0.00 113 L 8.24 4.19 0.00 1.49 1.13 0.86 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 114 K 8.86 4.27 0.00 1.53 1.54 0.00 1.72 0.00 0.00 1.23 0.00 0.00 2.27 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.20 1.33 7.81 115 I 8.21 4.42 2.01 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.41 1.31 0.00 0.00 116 H 9.25 5.33 0.00 3.43 3.34 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 8.75 4.37 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.65 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00