NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4704 8.3044 118.1991 55.0741 32.3872 173.9443 2 F 4.1550 8.7920 120.9130 58.0768 40.0793 174.4468 3 K 4.1500 7.2196 126.4883 53.9024 36.5233 173.9147 4 P 4.2676 0.0000 0.0000 62.6471 32.7610 175.5383 5 H 4.5557 8.8799 119.0975 55.7146 30.1863 174.5528 6 V 4.9698 8.6669 123.7312 61.9544 33.2389 174.8395 7 T 5.1821 9.4941 118.5611 60.2538 72.4818 173.4560 8 V 5.3235 8.8319 113.5135 60.0118 36.1306 174.6201 9 A 5.3864 9.8182 126.1368 50.3402 22.9638 174.4708 10 C 5.2706 8.8658 117.1722 57.9498 30.9962 174.3974 11 V 3.9502 9.4967 125.7210 62.4284 32.1191 174.9576 12 V 4.8663 8.4816 129.3086 61.5997 33.3939 173.6359 13 H 5.2600 9.8477 128.6618 54.3702 33.1988 172.3154 14 A 4.4797 8.6362 125.6540 51.3994 22.7236 175.9931 15 E 3.4932 9.2748 122.4824 58.1719 26.7958 174.7226 16 G 4.0401 7.8556 99.8905 45.9286 0.0000 171.5213 17 K 4.8541 7.5100 118.8102 54.3053 36.3147 174.8594 18 F 5.3797 9.6874 124.0670 55.5163 42.2135 174.2672 19 L 3.8218 8.5699 125.9341 54.3256 42.4346 176.2181 20 V 4.6778 8.3559 125.3453 61.3633 35.3898 173.9558 21 V 4.9466 9.1735 120.7702 59.5521 34.8795 174.1272 22 E 3.8318 9.3659 127.0703 54.7736 30.9209 174.5079 23 E 4.7533 8.7416 126.7857 54.7054 33.9595 174.5577 24 T 5.0134 8.2969 120.0452 61.2772 69.2478 173.6227 25 I 3.9853 8.3090 126.7986 62.6831 38.7563 176.2200 26 N 4.5631 8.2626 116.0016 53.0334 39.4208 174.7858 27 G 3.9277 8.8908 108.5732 46.5595 0.0000 172.7794 28 K 4.4705 9.3000 117.3696 54.3457 34.8638 175.1250 29 A 4.7165 8.3759 123.5042 51.0136 19.3432 176.4152 30 L 5.6385 8.3504 121.6091 53.1332 45.0648 176.4955 31 W 5.1694 8.3906 121.1374 55.6510 32.4642 174.1717 32 N 4.8249 8.5531 117.1532 52.7553 42.4374 173.8329 33 Q 4.3840 8.4757 122.2239 55.4650 30.4548 174.3304 34 P 4.6011 0.0000 0.0000 63.5052 32.4282 175.4813 35 A 5.7324 7.5905 124.4482 52.3776 23.0035 174.9261 36 G 4.4271 8.2752 105.1166 44.6106 0.0000 171.6424 37 H 5.0027 8.2416 117.8431 55.0015 29.3551 175.7135 38 L 4.0698 8.8890 125.5209 56.1894 42.5561 175.9900 39 E 4.8602 9.9726 125.2507 53.8570 32.7307 175.5251 40 A 3.8475 8.9258 123.2331 54.2242 19.2531 178.7766 41 D 4.2775 7.9590 117.8616 54.4153 37.4021 173.8000 42 E 4.8776 7.3454 125.6594 54.5075 33.6475 174.6129 43 T 4.2543 9.5126 122.0194 62.9459 70.6906 176.2677 44 L 3.9262 8.1874 122.7320 58.2127 41.6308 180.3510 45 V 3.0281 7.5447 111.8053 64.1716 31.5025 178.2712 46 E 3.9429 8.1138 117.7122 59.3483 29.3340 179.1162 47 A 4.2947 8.4458 122.1264 54.3188 18.4711 179.5714 48 A 3.9918 7.9534 119.2631 55.1728 18.4319 179.8239 49 A 3.9476 7.7538 119.0410 55.2889 18.4862 179.5855 50 R 3.9646 8.0519 117.3136 59.9168 29.5316 178.2823 51 E 4.0474 8.4727 118.8364 58.9063 29.2938 178.4626 52 L 4.0444 8.1379 120.7725 57.6364 42.1427 178.6944 53 W 4.3468 8.8746 128.7858 60.7476 30.6513 177.9195 54 E 3.9967 8.5543 118.6088 58.9635 28.7372 178.4241 55 E 4.2789 7.9399 116.3725 57.2934 30.0825 177.0432 56 T 4.2655 7.4518 105.9365 60.6325 71.8919 175.8431 57 G 3.4957 8.0570 108.0122 45.7045 0.0000 172.9649 58 I 4.2989 7.4163 113.1004 59.4438 38.9895 175.3056 59 S 4.8479 8.6033 117.3884 57.0458 63.2705 172.9687 60 A 4.5868 8.1808 128.0552 51.4017 21.6599 175.3084 61 Q 4.3592 8.5282 120.7659 53.9480 29.9531 174.4492 62 P 4.4187 0.0000 0.0000 63.5571 31.6921 176.0587 63 Q 4.4149 8.7354 120.6365 57.8762 30.0004 175.3851 64 H 5.0916 8.1760 113.6994 54.6228 33.9579 172.0616 65 F 5.3036 8.6311 121.6962 57.3084 41.2044 175.5119 66 I 3.8684 7.9721 127.6470 61.5485 37.8582 175.9879 67 R 3.5928 6.3466 115.0602 56.0570 32.1189 171.5311 68 M 4.7089 8.4629 118.6334 54.1921 34.0330 174.4792 69 H 4.8554 8.8974 122.4175 54.0261 31.7552 172.8423 70 Q 5.2221 8.7566 124.7745 54.5647 30.0655 174.4326 71 W 5.4779 9.5329 122.6666 55.3300 32.4031 173.4321 72 I 4.5291 8.3665 121.1122 59.4540 38.2966 175.9722 73 A 3.1888 8.4552 130.5049 50.4178 19.0510 176.6196 74 P 4.2952 0.0000 0.0000 64.9775 31.6531 177.1181 75 D 4.7562 7.9039 117.4159 53.0442 39.8197 177.6967 76 K 3.8109 8.1615 116.9502 57.9539 30.7125 176.0018 77 T 3.6956 7.2608 117.4635 62.8237 69.2906 171.6128 78 P 4.7069 0.0000 0.0000 61.9183 33.2446 174.7181 79 F 5.4594 9.4070 124.1752 55.5764 42.0332 174.4480 80 L 4.9308 9.5654 124.2809 53.4172 43.4398 175.6311 81 R 5.4301 8.9121 125.8967 53.7960 32.3759 174.5329 82 F 4.6897 9.4831 126.8919 56.6778 40.6130 174.6349 83 L 5.1103 9.0542 126.9771 53.5149 43.8525 175.3366 84 F 5.5973 9.3703 124.4182 55.7190 43.1443 174.0238 85 A 5.4322 9.2807 121.5379 50.4785 22.0147 175.5903 86 I 4.9421 9.1682 122.4228 59.6979 41.0911 174.3516 87 E 5.0102 9.1128 127.1892 55.6245 30.4702 175.8799 88 L 4.7682 8.8920 124.3737 52.8121 44.1788 177.3959 89 E 3.9677 8.9618 123.0039 59.5184 29.6604 177.7176 90 Q 4.6028 7.2102 114.0609 53.9068 33.0575 174.6209 91 I 2.6043 8.6956 122.3591 61.4277 37.4791 175.6302 92 C 4.7916 7.4291 121.9588 57.1376 30.2521 172.1946 93 P 4.5551 0.0000 0.0000 63.0346 31.6459 175.5721 94 T 4.6713 7.9306 114.1272 61.0015 71.0455 173.8897 95 Q 4.4628 9.3826 126.5919 54.7212 31.4188 170.8179 96 P 4.4230 0.0000 0.0000 61.8023 32.4371 176.0584 97 H 5.0337 8.3256 121.0159 54.6095 29.0493 174.7713 98 D 4.4913 7.7218 117.4549 53.0274 44.0535 175.1884 99 S 4.1201 8.8961 122.0262 61.5593 62.5533 175.0649 100 D 4.3822 7.6294 118.5567 56.5945 40.7508 176.5970 101 I 3.8572 7.3214 120.0766 61.4682 36.9006 175.6085 102 D 4.4782 8.8748 127.0002 56.5254 41.2655 176.7459 103 C 4.8035 7.0813 115.4080 58.9809 34.5025 172.4110 104 C 5.0818 8.8502 121.9743 58.3213 31.1233 173.2258 105 R 4.6422 9.6159 121.5764 54.9451 33.7474 174.0196 106 W 5.0936 8.9637 126.6248 55.8821 29.5401 175.7808 107 V 4.7437 8.7676 124.5486 59.3823 35.0201 175.6435 108 S 4.7033 8.5721 115.5658 57.6557 63.8753 174.5135 109 A 3.7834 8.7865 122.3655 55.6386 17.8557 179.6985 110 E 3.9079 8.1661 114.6550 59.4939 29.3411 178.8978 111 E 3.8868 7.7525 119.6370 59.0866 29.8803 178.5338 112 I 3.7649 7.6529 119.9765 64.1995 36.9828 177.9681 113 L 4.1635 8.0216 117.8477 56.3447 41.5716 178.2062 114 Q 4.3357 7.5844 116.8697 55.2336 29.8454 175.5153 115 A 4.2818 7.1697 123.2198 51.7644 19.2317 177.3885 116 S 4.6644 8.6330 117.4424 58.5487 63.9618 174.1298 117 N 5.1104 7.8806 118.9602 52.6714 36.7067 174.3243 118 L 5.1414 7.7950 118.3093 54.3506 43.8114 178.3141 119 R 4.3237 8.6156 123.0727 59.5681 30.8740 176.2289 120 S 4.5524 7.5360 111.7925 56.7086 65.9200 174.1699 121 P 4.2603 0.0000 0.0000 64.8836 31.2990 178.9479 122 L 3.6830 6.8955 117.5807 57.0779 40.7964 179.2458 123 V 3.8432 7.6843 119.4483 65.5024 31.5026 177.8638 124 A 3.9119 7.7573 119.8408 55.1521 18.2950 179.0383 125 E 3.8361 7.7757 117.4612 59.2283 29.5108 179.3021 126 S 4.0540 8.0848 115.6227 61.4121 62.8175 176.3923 127 I 3.4318 7.1414 121.2239 64.5047 36.8505 178.2811 128 R 3.9045 7.7822 118.6499 59.9486 29.7365 178.8976 129 C 4.1836 7.7966 114.6789 62.6339 28.4407 175.2630 130 Y 4.1383 8.4224 121.7149 60.8934 38.2393 178.0865 131 Q 4.1743 8.5236 118.4395 58.6903 28.8800 178.4647 132 S 4.1981 7.8324 114.7303 59.4382 63.0444 175.8562 133 G 3.7406 7.8120 109.4560 45.3076 0.0000 173.7354 134 Q 3.8516 7.2970 120.6093 56.2227 29.4920 175.0403 135 R 4.5818 7.4258 121.6017 55.1815 33.3787 173.6388 136 Y 5.0237 8.7654 116.7134 55.6365 42.9919 173.3144 137 P 4.5343 0.0000 0.0000 63.1580 31.6247 177.1989 138 L 4.0487 9.2672 124.8479 58.0666 41.7227 178.7591 139 E 4.2165 8.2400 113.1703 57.8012 29.5264 176.9291 140 M 4.4034 8.0960 119.0041 55.8119 32.9826 176.5842 141 I 4.3518 7.2210 111.3900 60.3501 37.9387 176.1089 142 G 3.7945 7.7325 109.7105 44.8665 0.0000 173.5753 143 D 4.0558 8.0305 118.6907 54.2311 41.4768 175.9005 144 F 4.4319 7.6446 124.9097 57.3179 40.9714 171.7693 145 N 3.7763 8.2751 129.3503 52.8719 35.8104 173.3551 146 W 5.1253 8.5131 122.4394 56.6193 30.1995 174.6518 147 P 4.2279 0.0000 0.0000 62.5099 30.2564 175.5235 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 M 8.30 4.47 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.64 0.00 2 F 8.79 4.16 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 3 K 7.22 4.15 0.00 1.53 1.49 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.33 7.81 4 P 0.00 4.27 0.00 2.11 2.08 0.00 3.61 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 5 H 8.88 4.56 0.00 3.03 3.48 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.67 4.97 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 1.18 0.00 0.00 1.06 0.00 0.00 7 T 9.49 5.18 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 1.13 0.00 0.00 8 V 8.83 5.32 2.43 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 0.96 0.00 0.00 1.10 0.00 0.00 9 A 9.82 5.39 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 10 C 8.87 5.27 0.00 2.91 2.96 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 V 9.50 3.95 2.31 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 0.97 0.00 0.00 1.00 0.00 0.00 12 V 8.48 4.87 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 1.06 0.00 0.00 0.99 0.00 0.00 13 H 9.85 5.26 0.00 2.73 3.20 0.00 5.66 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 14 A 8.64 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 9.27 3.49 0.00 1.86 1.83 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 2.10 2.07 0.00 16 G 7.86 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 0.00 0.00 0.00 17 K 7.51 4.85 0.00 1.91 1.67 0.00 1.57 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.57 1.56 7.81 18 F 9.69 5.38 0.00 2.97 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 19 L 8.57 3.82 0.00 0.27 1.10 -0.34 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.36 4.68 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 1.04 0.00 0.00 0.95 0.00 0.00 21 V 9.17 4.95 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 0.70 0.00 0.00 1.01 0.00 0.00 22 E 9.37 3.83 0.00 1.16 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 1.47 1.47 0.00 23 E 8.74 4.75 0.00 1.91 1.62 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 2.13 2.34 0.00 24 T 8.30 5.01 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 1.22 0.00 0.00 25 I 8.31 3.99 1.87 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 1.51 0.68 0.92 0.00 0.00 26 N 8.26 4.56 0.00 2.94 2.87 0.00 0.00 6.27 7.30 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 27 G 8.89 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 28 K 9.30 4.47 0.00 1.80 1.69 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.54 7.81 29 A 8.38 4.72 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 30 L 8.35 5.64 0.00 1.53 1.62 0.95 0.73 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 31 W 8.39 5.17 0.00 3.22 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 32 N 8.55 4.82 0.00 2.74 2.59 0.00 0.00 7.61 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 33 Q 8.48 4.38 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 34 P 0.00 4.60 0.00 2.10 1.99 0.00 3.85 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 35 A 7.59 5.73 1.28 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 0.00 0.00 36 G 8.28 4.43 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 0.00 0.00 0.00 37 H 8.24 5.00 0.00 3.11 3.33 0.00 5.73 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 L 8.89 4.07 0.00 1.66 1.66 1.05 0.88 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 39 E 9.97 4.86 0.00 1.92 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 2.26 2.27 0.00 40 A 8.93 3.85 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 41 D 7.96 4.28 0.00 2.56 2.96 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 42 E 7.35 4.88 0.00 1.98 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 2.31 2.35 0.00 43 T 9.51 4.25 4.66 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 1.24 0.00 0.00 44 L 8.19 3.93 0.00 1.55 1.70 -0.16 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.54 3.03 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 0.89 0.00 0.00 0.84 0.00 0.00 46 E 8.11 3.94 0.00 2.27 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 2.42 2.40 0.00 47 A 8.45 4.29 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 A 7.95 3.99 1.16 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 0.00 0.00 0.00 49 A 7.75 3.95 1.32 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 0.00 0.00 50 R 8.05 3.96 0.00 2.01 2.18 0.00 3.39 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.73 0.00 51 E 8.47 4.05 0.00 2.38 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 0.00 2.40 2.48 0.00 52 L 8.14 4.04 0.00 2.06 1.93 1.05 0.83 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 53 W 8.87 4.35 0.00 3.50 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 54 E 8.55 4.00 0.00 2.12 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 2.47 2.68 0.00 55 E 7.94 4.28 0.00 2.06 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 2.27 2.29 0.00 56 T 7.45 4.27 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 1.16 0.00 0.00 57 G 8.06 3.50 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 0.00 58 I 7.42 4.30 2.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.82 1.04 0.00 0.00 59 S 8.60 4.85 0.00 4.13 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 60 A 8.18 4.59 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 61 Q 8.53 4.36 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 62 P 0.00 4.42 0.00 2.17 1.99 0.00 3.64 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.37 0.00 63 Q 8.74 4.41 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 64 H 8.18 5.09 0.00 3.22 3.24 0.00 5.77 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.63 5.30 0.00 3.32 3.36 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 66 I 7.97 3.87 1.83 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.72 0.80 0.00 0.00 67 R 6.35 3.59 0.00 1.60 1.89 0.00 2.82 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.21 0.00 68 M 8.46 4.71 0.00 1.68 1.19 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.10 0.00 69 H 8.90 4.86 0.00 3.09 3.14 0.00 5.85 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.76 5.22 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 71 W 9.53 5.48 0.00 3.58 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 72 I 8.37 4.53 1.85 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 1.20 0.56 0.80 0.00 0.00 73 A 8.46 3.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.30 0.00 2.11 2.20 0.00 3.75 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 75 D 7.90 4.76 0.00 2.78 2.86 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 76 K 8.16 3.81 0.00 1.85 1.91 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.50 7.81 77 T 7.26 3.70 3.50 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 0.35 0.00 0.00 78 P 0.00 4.71 0.00 2.17 2.23 0.00 3.13 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 1.83 2.08 0.00 79 F 9.41 5.46 0.00 2.84 3.09 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 80 L 9.57 4.93 0.00 1.96 1.90 1.05 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.91 5.43 0.00 2.05 1.98 0.00 3.03 0.00 0.00 3.18 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.44 0.00 82 F 9.48 4.69 0.00 3.26 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 83 L 9.05 5.11 0.00 1.70 1.56 1.01 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 84 F 9.37 5.60 0.00 3.28 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 85 A 9.28 5.43 1.44 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 0.00 0.00 0.00 86 I 9.17 4.94 2.01 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.17 1.03 0.00 0.00 87 E 9.11 5.01 0.00 1.95 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 2.43 2.38 0.00 88 L 8.89 4.77 0.00 1.57 1.58 1.22 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.96 3.97 0.00 1.95 2.04 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 2.34 2.33 0.00 90 Q 7.21 4.60 0.00 1.88 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.81 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 91 I 8.70 2.60 1.40 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.01 -0.08 0.00 0.00 92 C 7.43 4.79 0.00 3.47 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 93 P 0.00 4.56 0.00 2.08 2.02 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 94 T 7.93 4.67 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 1.22 0.00 0.00 95 Q 9.38 4.46 0.00 1.93 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 96 P 0.00 4.42 0.00 1.87 1.97 0.00 3.58 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.01 0.00 97 H 8.33 5.03 0.00 2.95 3.20 0.00 5.67 0.00 0.00 0.00 0.00 8.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 D 7.72 4.49 0.00 2.90 2.41 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 99 S 8.90 4.12 0.00 3.86 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 0.00 100 D 7.63 4.38 0.00 2.78 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 0.00 101 I 7.32 3.86 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.87 0.92 0.00 0.00 102 D 8.87 4.48 0.00 2.40 2.55 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 0.00 0.00 0.00 0.00 103 C 7.08 4.80 0.00 2.85 2.37 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 0.00 104 C 8.85 5.08 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 0.00 105 R 9.62 4.64 0.00 1.88 1.52 0.00 3.08 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.61 0.00 106 W 8.96 5.09 0.00 3.21 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 0.00 107 V 8.77 4.74 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 0.74 0.00 0.00 0.97 0.00 0.00 108 S 8.57 4.70 0.00 4.10 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 0.00 109 A 8.79 3.78 1.44 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 0.00 0.00 0.00 110 E 8.17 3.91 0.00 2.16 2.24 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 2.37 2.32 0.00 111 E 7.75 3.89 0.00 1.90 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 0.00 2.22 2.28 0.00 112 I 7.65 3.76 1.80 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.20 0.76 0.00 0.00 113 L 8.02 4.16 0.00 1.54 1.67 0.88 0.69 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 0.00 114 Q 7.58 4.34 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 115 A 7.17 4.28 1.25 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 0.00 0.00 0.00 116 S 8.63 4.66 0.00 3.87 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 0.00 117 N 7.88 5.11 0.00 3.06 3.09 0.00 0.00 6.15 6.67 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 0.00 118 L 7.80 5.14 0.00 1.61 1.61 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.62 4.32 0.00 2.01 1.98 0.00 3.51 0.00 0.00 3.36 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 120 S 7.54 4.55 0.00 3.70 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 0.00 121 P 0.00 4.26 0.00 1.96 2.03 0.00 3.25 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 2.06 2.07 0.00 122 L 6.90 3.68 0.00 1.18 1.31 -0.57 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.68 3.84 2.12 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 1.25 0.00 0.00 1.01 0.00 0.00 124 A 7.76 3.91 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 0.00 125 E 7.78 3.84 0.00 1.99 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 2.21 2.37 0.00 126 S 8.08 4.05 0.00 3.92 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 0.00 127 I 7.14 3.43 1.84 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.53 0.63 0.00 0.00 128 R 7.78 3.90 0.00 2.06 1.97 0.00 3.11 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 129 C 7.80 4.18 0.00 3.13 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 0.00 130 Y 8.42 4.14 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 0.00 131 Q 8.52 4.17 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.69 2.76 0.00 132 S 7.83 4.20 0.00 3.99 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 0.00 133 G 7.81 3.74 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 0.00 0.00 0.00 134 Q 7.30 3.85 0.00 1.85 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.63 0.00 0.00 0.00 0.00 0.00 2.20 1.70 0.00 135 R 7.43 4.58 0.00 1.50 1.80 0.00 3.35 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.44 0.00 136 Y 8.77 5.02 0.00 3.06 2.91 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 0.00 137 P 0.00 4.53 0.00 2.19 2.10 0.00 3.88 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 138 L 9.27 4.05 0.00 1.78 1.80 0.97 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.24 4.22 0.00 2.08 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 0.00 2.32 2.36 0.00 140 M 8.10 4.40 0.00 2.08 2.38 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.67 0.00 141 I 7.22 4.35 1.73 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.51 0.95 0.00 0.00 142 G 7.73 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 0.00 143 D 8.03 4.06 0.00 2.15 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 0.00 0.00 0.00 144 F 7.64 4.43 0.00 2.83 2.84 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 0.00 145 N 8.28 3.78 0.00 1.76 2.52 0.00 0.00 7.26 7.95 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 0.00 146 W 8.51 5.13 0.00 3.21 2.91 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 0.00 147 P 0.00 4.23 0.00 1.25 1.86 0.00 3.79 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 1.94 1.99 0.00