NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3594 8.3044 120.3460 55.4596 32.2205 173.2593 2 I 4.2195 8.0025 124.9688 58.5395 39.7013 173.1586 3 Q 5.0630 9.3257 127.2381 54.3629 32.5574 174.7295 4 R 4.7384 9.0437 120.8633 54.5589 34.3863 174.5175 5 T 4.5322 8.7361 119.2544 61.0860 68.1894 172.1222 6 P 4.8227 0.0000 0.0000 63.0646 32.0652 176.0017 7 K 4.5336 9.4865 123.7704 55.8554 33.7639 175.9165 8 I 5.1772 8.1870 122.6147 59.9933 41.4367 175.2426 9 Q 4.5627 8.9174 123.8015 55.0542 33.1487 173.7870 10 V 4.8864 8.8308 125.3837 61.7224 33.1040 173.8762 11 Y 5.3565 8.5777 127.7661 56.0647 41.4337 173.8088 12 S 5.0663 8.9773 111.9812 57.0992 65.8406 174.1010 13 R 4.1361 9.0458 123.0691 59.5658 29.9009 176.3802 14 H 5.1171 8.4159 113.5129 52.6916 31.8095 172.0937 15 P 4.2788 0.0000 0.0000 62.8980 31.5803 176.4215 16 A 4.1497 8.8327 125.9985 52.5486 19.0705 176.4635 17 E 4.5081 8.5509 122.3337 54.1903 31.9418 174.2199 18 N 4.4212 8.8896 123.7329 55.3787 38.9366 175.7371 19 G 3.9670 8.8973 110.5122 45.1337 0.0000 173.1497 20 K 4.6135 7.4098 118.8586 54.0498 34.4219 176.5371 21 S 4.1255 8.6454 120.5135 59.4192 63.4951 173.0988 22 N 5.0969 9.0562 122.1314 52.3333 43.3023 171.9945 23 F 5.0943 8.8314 116.6471 55.5678 42.6271 174.2419 24 L 3.9510 8.9967 126.9784 54.0258 43.2502 174.9026 25 N 5.3386 8.8730 123.9904 51.3900 41.9316 172.6602 26 C 5.3165 9.2947 124.0948 55.1288 40.9634 171.9741 27 Y 5.3642 9.3955 129.8212 56.5714 39.9671 174.4230 28 V 4.8783 8.5611 121.2839 59.7954 34.1912 175.5405 29 S 5.0468 8.8550 119.1533 57.5495 66.9626 175.0645 30 G 3.9222 8.6611 106.5977 45.8063 0.0000 173.9046 31 F 4.9396 7.5364 115.1388 56.8437 40.1185 173.8298 32 H 5.0685 8.7063 114.8356 55.0337 33.8809 172.3143 33 P 5.0564 0.0000 0.0000 62.2910 32.4256 176.0794 34 S 3.8612 8.6530 113.5264 61.4390 62.5937 174.4643 35 D 4.3159 7.8268 120.2981 54.6319 40.6827 175.8581 36 I 4.5193 7.8327 121.9809 59.9599 41.1834 173.1172 37 E 4.5873 8.9532 127.3248 54.4414 32.4272 174.9757 38 V 4.5987 7.9269 123.9833 60.9376 33.9988 174.2421 39 D 4.9370 9.2214 126.7875 52.4194 45.1650 174.5439 40 L 4.8119 8.3548 121.3580 53.2720 43.8491 175.2194 41 L 4.9612 9.1478 124.7294 53.1744 44.0195 175.8435 42 K 4.1746 8.7494 124.5321 54.2277 33.6175 175.4597 43 N 3.9933 9.3072 128.3890 54.1315 36.0940 174.9919 44 G 4.3534 8.3228 111.5381 45.9303 0.0000 174.2153 45 E 4.0888 7.5711 118.9563 55.7020 30.1906 175.6949 46 R 4.6156 8.2334 122.6641 55.8909 31.0448 175.9126 47 I 3.7132 8.7423 128.2976 62.7211 37.5178 174.2400 48 E 4.0101 9.2764 127.4333 57.7677 29.3498 178.4587 49 K 3.9911 9.1440 129.7570 57.3778 32.8415 176.4111 50 V 4.4560 8.0469 123.3194 61.0292 34.6053 174.5571 51 E 4.6383 8.5170 126.3143 55.2125 32.0404 174.6231 52 H 5.1422 7.9600 116.1810 53.6535 31.3784 173.2990 53 S 4.4888 9.1499 117.2037 58.1590 63.9513 173.5706 54 D 4.4590 8.4675 120.1480 53.5979 41.2236 176.2236 55 L 4.0681 8.4836 125.1853 55.8046 42.7125 175.6308 56 S 4.9029 8.2039 119.3137 56.5541 66.6171 171.9952 57 F 5.4023 7.6652 115.0564 55.4174 40.7252 174.6437 58 S 4.6044 8.9531 116.1319 56.6162 64.9576 174.6367 59 K 3.3215 8.6552 121.0097 59.7825 31.4542 177.0617 60 D 4.2810 7.7194 113.3220 53.3382 39.0393 176.8277 61 W 3.6729 7.6977 118.4442 57.1318 27.6977 174.6174 62 S 4.1986 8.0927 116.4051 58.3741 62.9532 173.7608 63 F 5.1404 8.3166 123.9247 57.4863 40.5366 174.2128 64 Y 5.5026 8.2964 118.3323 56.0907 41.6636 173.7404 65 L 5.2888 9.9119 121.3076 53.2628 47.3183 175.1993 66 L 5.2317 9.2538 122.1076 54.0859 45.0175 174.5749 67 Y 5.2338 9.1666 124.9322 56.8126 40.3696 174.6310 68 Y 5.8506 8.5336 120.1159 56.9304 42.0217 173.3852 69 T 4.8846 8.3026 113.6583 60.6547 71.4172 171.8556 70 E 3.9448 8.5369 127.7309 55.5786 30.5209 175.3866 71 F 5.0011 9.0582 121.0273 55.5215 42.4614 173.5286 72 T 4.3972 8.0884 114.2127 60.8065 71.1068 172.6149 73 P 4.7123 0.0000 0.0000 63.9368 32.8490 175.2888 74 T 4.6778 8.2836 116.2358 63.3772 72.3431 174.1567 75 E 4.1508 9.0470 122.2335 59.6414 29.9040 179.0924 76 K 4.1116 8.0775 116.6087 59.7358 33.0124 177.4367 77 D 4.5132 8.2243 119.8123 54.2048 41.1454 175.0847 78 E 5.0236 9.5021 123.1246 54.7839 32.2218 174.6774 79 Y 5.3792 9.1073 119.2905 56.5653 42.3123 174.1689 80 A 5.2843 9.0939 122.9537 51.1669 23.9842 173.8855 81 C 5.2482 9.5092 118.5359 54.9968 42.3737 172.5480 82 R 4.9680 8.9429 127.3296 54.8044 31.7233 174.8714 83 V 4.6567 9.1870 126.5009 61.1804 34.4466 173.4077 84 N 5.2321 9.0738 127.3775 52.2009 41.5912 172.7405 85 H 5.1636 8.5074 123.5694 54.5005 33.5469 174.0369 86 V 3.5321 8.4293 122.5764 65.2615 30.7529 177.6461 87 T 4.0690 7.8235 106.3309 61.8562 68.5923 173.4436 88 L 4.6737 7.7121 123.6776 52.8695 43.1164 176.4236 89 S 4.2881 8.9093 119.3965 60.7605 63.0821 174.6157 90 Q 4.6410 7.5669 116.9640 52.5205 32.4391 172.8657 91 P 4.4290 0.0000 0.0000 63.0809 32.1717 175.8768 92 K 4.4548 8.8755 122.0660 55.8328 34.0427 176.0962 93 I 4.9807 8.1854 123.3460 59.8396 40.4470 174.6244 94 V 4.3770 8.6528 128.1841 61.0129 33.3509 175.0983 95 K 4.6182 8.6604 127.3474 55.7609 33.2083 176.2607 96 W 4.5441 9.0582 135.0000 56.9863 31.4552 175.0007 97 D 4.3767 8.5682 127.4809 51.9961 41.2885 176.7001 98 R 3.6506 7.4517 124.2229 58.2326 29.2202 176.4727 99 D 4.9827 7.8841 116.9601 53.9054 41.8071 175.2435 100 M 4.3986 8.3771 123.2117 55.2221 33.1971 174.8375 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 4.36 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.60 0.00 2 I 8.00 4.22 1.86 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 1.41 0.89 0.84 0.00 0.00 3 Q 9.33 5.06 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.46 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 4 R 9.04 4.74 0.00 1.81 2.02 0.00 3.16 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 5 T 8.74 4.53 4.30 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 1.26 0.00 0.00 6 P 0.00 4.82 0.00 2.00 1.86 0.00 3.85 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.86 0.00 7 K 9.49 4.53 0.00 1.80 1.79 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.47 7.81 8 I 8.19 5.18 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 1.33 0.61 0.96 0.00 0.00 9 Q 8.92 4.56 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 10 V 8.83 4.89 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.09 0.00 0.00 11 Y 8.58 5.36 0.00 3.13 3.16 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 12 S 8.98 5.07 0.00 4.27 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 13 R 9.05 4.14 0.00 1.85 2.06 0.00 2.96 0.00 0.00 2.95 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.42 0.00 14 H 8.42 5.12 0.00 3.24 3.20 0.00 5.74 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.28 0.00 2.10 2.10 0.00 3.79 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 2.09 2.19 0.00 16 A 8.83 4.15 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 0.00 0.00 0.00 0.00 0.00 17 E 8.55 4.51 0.00 2.01 1.77 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 2.26 2.38 0.00 18 N 8.89 4.42 0.00 2.77 2.81 0.00 0.00 7.26 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 19 G 8.90 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 20 K 7.41 4.61 0.00 1.59 1.67 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.72 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.51 7.81 21 S 8.65 4.13 0.00 3.69 3.70 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 22 N 9.06 5.10 0.00 2.28 2.09 0.00 0.00 6.63 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 23 F 8.83 5.09 0.00 3.05 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 24 L 9.00 3.95 0.00 0.27 1.04 -0.44 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.87 5.34 0.00 1.44 2.02 0.00 0.00 5.97 7.77 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 26 C 9.29 5.32 0.00 2.94 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 27 Y 9.40 5.36 0.00 3.44 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 28 V 8.56 4.88 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 0.63 0.00 0.00 1.09 0.00 0.00 29 S 8.85 5.05 0.00 3.78 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.66 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 7.54 4.94 0.00 2.95 3.17 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 0.00 32 H 8.71 5.07 0.00 3.32 3.23 0.00 5.58 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 5.06 0.00 2.16 2.18 0.00 3.93 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 34 S 8.65 3.86 0.00 3.56 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 7.83 4.32 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 36 I 7.83 4.52 1.61 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.44 0.68 0.00 0.00 37 E 8.95 4.59 0.00 1.82 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 38 V 7.93 4.60 0.67 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 0.49 0.00 0.00 0.50 0.00 0.00 39 D 9.22 4.94 0.00 2.46 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 0.00 0.00 0.00 0.00 40 L 8.35 4.81 0.00 1.56 1.55 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 41 L 9.15 4.96 0.00 1.65 1.55 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.75 4.17 0.00 1.61 1.58 0.00 1.82 0.00 0.00 1.44 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.30 1.42 7.81 43 N 9.31 3.99 0.00 2.80 2.83 0.00 0.00 7.02 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.32 4.35 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 0.00 45 E 7.57 4.09 0.00 2.05 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 0.00 2.38 2.33 0.00 46 R 8.23 4.62 0.00 1.80 1.80 0.00 3.33 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 47 I 8.74 3.71 1.92 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 1.26 0.82 0.92 0.00 0.00 48 E 9.28 4.01 0.00 1.85 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 49 K 9.14 3.99 0.00 1.73 1.78 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.42 7.81 50 V 8.05 4.46 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 0.88 0.00 0.00 0.99 0.00 0.00 51 E 8.52 4.64 0.00 1.16 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.26 0.00 52 H 7.96 5.14 0.00 1.45 2.18 0.00 5.73 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 9.15 4.49 0.00 3.95 4.06 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 54 D 8.47 4.46 0.00 2.70 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 55 L 8.48 4.07 0.00 1.65 1.62 0.87 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.20 4.90 0.00 3.72 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 57 F 7.67 5.40 0.00 2.79 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 58 S 8.95 4.60 0.00 4.02 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 0.00 59 K 8.66 3.32 0.00 1.55 1.75 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.16 1.16 7.81 60 D 7.72 4.28 0.00 2.78 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 61 W 7.70 3.67 0.00 3.30 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 62 S 8.09 4.20 0.00 3.94 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 63 F 8.32 5.14 0.00 2.12 2.28 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 64 Y 8.30 5.50 0.00 3.21 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 9.91 5.29 0.00 1.96 1.78 1.27 0.38 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 66 L 9.25 5.23 0.00 2.01 1.69 1.18 1.10 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 67 Y 9.17 5.23 0.00 3.03 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 68 Y 8.53 5.85 0.00 3.17 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 69 T 8.30 4.88 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 1.15 0.00 0.00 70 E 8.54 3.94 0.00 1.46 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.60 0.00 71 F 9.06 5.00 0.00 2.81 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 72 T 8.09 4.40 4.18 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 1.17 0.00 0.00 73 P 0.00 4.71 0.00 2.11 2.32 0.00 3.42 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.61 0.00 74 T 8.28 4.68 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 1.27 0.00 0.00 75 E 9.05 4.15 0.00 1.99 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 0.00 2.34 2.26 0.00 76 K 8.08 4.11 0.00 1.88 1.96 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.49 7.81 77 D 8.22 4.51 0.00 2.92 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 78 E 9.50 5.02 0.00 2.05 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 2.27 2.27 0.00 79 Y 9.11 5.38 0.00 3.04 2.81 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 80 A 9.09 5.28 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 81 C 9.51 5.25 0.00 2.92 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 82 R 8.94 4.97 0.00 1.87 1.71 0.00 3.05 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 83 V 9.19 4.66 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.82 0.00 0.00 84 N 9.07 5.23 0.00 2.77 2.55 0.00 0.00 6.16 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 85 H 8.51 5.16 0.00 3.09 3.04 0.00 5.77 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.43 3.53 1.98 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 0.66 0.00 0.00 0.96 0.00 0.00 87 T 7.82 4.07 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 88 L 7.71 4.67 0.00 1.70 1.84 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.91 4.29 0.00 3.97 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 90 Q 7.57 4.64 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.98 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 91 P 0.00 4.43 0.00 2.04 2.18 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 92 K 8.88 4.45 0.00 1.82 1.75 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.41 7.81 93 I 8.19 4.98 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 1.21 0.59 0.92 0.00 0.00 94 V 8.65 4.38 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 1.05 0.00 0.00 0.97 0.00 0.00 95 K 8.66 4.62 0.00 1.73 1.78 0.00 1.86 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.41 7.81 96 W 9.06 4.54 0.00 3.20 3.41 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 97 D 8.57 4.38 0.00 2.69 2.45 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 0.00 0.00 0.00 0.00 98 R 7.45 3.65 0.00 1.90 1.21 0.00 2.93 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.51 0.00 99 D 7.88 4.98 0.00 2.56 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 0.00 100 M 8.38 4.40 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00