NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4716 8.1476 120.3272 54.3628 34.1450 175.1021 2 E 3.9309 8.0994 117.5371 57.2598 29.9202 174.7486 3 D 4.4010 9.4307 119.9505 55.6852 39.3334 175.5422 4 T 4.0865 7.3790 114.8613 62.7037 69.0347 173.3443 5 P 4.4985 0.0000 0.0000 62.0817 32.4678 175.4137 6 L 4.2030 8.1671 122.3127 54.2080 42.9254 176.2379 7 V 3.7772 8.2010 125.6713 62.1376 31.9046 174.7958 8 I 4.5054 7.6925 128.8382 59.8421 38.7570 175.1901 9 S 5.2475 8.5019 120.5536 56.5433 66.3240 173.2494 10 K 4.7603 9.0692 122.3916 55.0045 35.6025 174.8518 11 Q 5.2113 8.6268 123.7086 54.6357 32.2086 174.1745 12 K 4.6460 8.8525 120.0457 55.5487 36.2053 174.5006 13 T 5.1107 8.4543 122.7997 62.0189 70.5427 173.4749 14 E 4.7047 9.2209 126.0434 54.4447 33.8864 174.1067 15 V 4.2027 8.3932 125.7035 62.6319 32.4924 175.3082 16 V 4.2672 8.7403 128.0911 62.4040 33.9034 175.1589 17 C 4.2001 9.8613 126.0331 60.9335 25.5051 174.3877 18 G 3.9481 8.1840 104.5098 45.6138 0.0000 173.0978 19 V 4.3753 7.7439 121.0247 59.9921 33.9956 172.9854 20 P 4.5489 0.0000 0.0000 63.5523 31.9230 175.8161 21 T 4.6652 8.9018 120.9838 61.7452 72.5416 172.5883 22 Q 4.9399 8.7856 127.7168 54.5141 31.3608 174.1421 23 V 4.9193 8.8656 126.4760 61.1020 34.5420 174.2633 24 V 5.0036 8.9394 127.1439 61.2909 34.8492 173.6796 25 C 5.4540 9.2274 125.1175 58.3334 31.4002 173.0330 26 T 4.9877 9.0983 119.6270 61.6676 71.9716 172.5829 27 A 4.9044 8.9607 128.7098 50.5414 20.3277 176.5028 28 F 4.9256 9.3149 122.1139 55.3498 41.9285 176.9404 29 S 4.5048 8.9093 115.7277 60.9378 63.1552 175.2766 30 S 4.6281 8.1555 114.0449 58.7762 64.4183 173.0291 31 H 5.3285 7.8755 117.8580 54.2127 33.5708 172.2180 32 I 4.8499 8.5465 122.3032 59.7398 39.3151 174.4201 33 L 4.9082 9.2627 130.2290 54.0797 43.6641 175.2023 34 V 4.7591 9.2234 126.7934 61.1546 34.2189 174.0891 35 V 4.7203 9.2201 128.7467 61.1398 33.9726 174.3401 36 V 4.7560 9.3953 128.6584 61.4924 34.1050 173.8873 37 T 4.9268 9.0009 123.3939 60.2949 70.0577 172.5227 38 Q 4.6576 8.4299 127.1136 54.4650 32.2958 175.6042 39 F 3.5756 8.8620 119.0124 58.6649 36.6718 176.4026 40 G 3.9538 8.3169 104.7501 46.0547 0.0000 174.3429 41 K 4.4548 7.7287 118.5671 55.1807 33.2970 176.9180 42 M 4.0774 8.6204 122.4354 56.6392 32.9050 177.4753 43 G 3.8260 7.9853 105.2790 44.9536 0.0000 171.8753 44 T 4.6237 8.1524 115.6908 62.6231 70.6459 174.0491 45 L 5.1199 8.9513 125.7077 53.1658 44.0680 175.6139 46 V 4.7255 8.9268 124.0001 61.0696 34.8446 173.9319 47 S 5.0130 9.3075 123.2420 57.1108 64.2485 172.4919 48 L 5.2658 9.3106 127.2172 53.0841 44.3646 175.3267 49 E 5.0375 9.0494 123.5279 53.3963 33.5970 173.7007 50 P 4.8565 0.0000 0.0000 63.0185 31.9004 176.1002 51 S 4.8752 9.4101 116.9886 58.0527 63.9240 173.2784 52 S 4.7488 7.7717 113.8065 56.9549 66.3897 173.2451 53 V 4.1760 8.2344 119.7574 61.7493 32.3000 175.5406 54 A 4.3962 8.5531 128.5279 52.1498 19.1917 176.3932 55 S 4.7263 8.5738 113.5048 56.2324 66.3877 174.7265 56 D 4.4135 8.7639 119.0473 57.0050 40.4645 178.0614 57 V 4.5271 7.7433 110.1654 60.2916 33.0513 175.2259 58 S 4.6279 7.8644 113.3079 57.1119 65.7920 173.3987 59 K 4.7591 8.3019 122.1594 54.2927 33.5819 174.6868 60 P 4.3315 0.0000 0.0000 63.0723 32.1708 176.3268 61 V 3.8102 8.7749 123.7843 62.9579 32.7844 174.5448 62 L 5.2109 8.4947 127.2415 53.2354 43.6610 175.7527 63 T 4.7784 8.8582 114.6937 60.2186 71.3716 173.6148 64 T 5.1878 8.4274 113.1198 59.9876 71.9574 173.0927 65 K 4.6282 8.7637 124.4587 54.9065 35.9913 174.9509 66 V 4.2852 8.5568 127.7086 62.7378 31.5301 175.3664 67 L 4.5106 9.0851 128.3491 55.9552 43.2077 176.8362 68 L 4.1669 7.8831 118.4925 55.4732 45.2185 173.6753 69 G 3.6809 8.9424 110.8180 44.3441 0.0000 172.9053 70 Q 4.1927 7.7437 122.4497 54.9874 28.5017 175.9736 71 D 4.6344 8.4939 124.4333 52.8827 39.9054 174.5628 72 E 4.8447 8.0700 121.9949 52.8008 32.9267 175.7836 73 P 4.2565 0.0000 0.0000 65.9902 31.2292 178.7007 74 L 4.0338 7.9218 118.5357 58.1256 42.0847 178.6427 75 I 3.7535 7.6397 118.7791 64.3875 37.8910 177.6224 76 H 4.1524 8.2632 116.6146 58.8092 28.6605 177.7447 77 V 3.6286 7.7672 119.5440 65.9115 31.3204 177.8345 78 F 4.0254 8.7172 120.4967 61.2269 39.3094 176.8183 79 A 4.0110 8.6920 120.7430 55.1170 18.2862 179.4171 80 K 3.8373 8.0716 118.0131 59.9473 32.0718 178.8009 81 N 4.3963 8.0022 115.2790 55.7333 38.4438 177.1104 82 L 4.0674 7.6485 121.5286 57.4890 42.6744 177.9335 83 V 4.1414 7.7301 108.5694 60.2004 33.2299 177.0056 84 A 3.9645 8.1515 124.7521 55.4843 18.0296 180.3595 85 F 4.1807 8.2925 112.2772 59.6255 37.9465 177.9378 86 V 2.2231 6.4452 118.5142 65.3698 31.2899 177.4983 87 S 4.0089 7.2310 113.6941 60.8511 61.9456 176.2638 88 Q 3.9300 7.8064 119.1408 59.0927 28.5943 178.4334 89 E 4.2316 8.3988 118.0256 58.0274 29.5902 177.5352 90 A 4.7399 7.7757 121.4425 51.9354 20.1038 178.0049 91 G 3.6981 8.2638 106.7770 47.6991 0.0000 174.2295 92 N 4.2617 8.2692 113.7957 53.7788 36.3891 175.0129 93 R 4.1185 7.3080 116.1225 56.2727 31.4495 176.5816 94 A 4.2842 8.2518 123.2051 51.8684 20.2025 176.4843 95 V 4.6689 8.8349 119.1007 60.9396 34.9620 174.1832 96 L 4.9453 8.8194 129.6990 53.4734 44.0192 174.5280 97 L 5.0920 9.0125 129.8631 53.3933 44.2343 174.7878 98 A 5.2539 8.9519 129.5858 50.4374 20.8584 175.7574 99 V 4.7050 8.9576 122.5199 60.4824 34.3054 174.8612 100 A 4.9646 9.3578 128.2242 49.4395 19.6396 172.9316 101 V 4.5739 7.6698 117.0980 59.9762 33.6867 175.0654 102 K 4.0361 9.0703 128.4599 58.8339 32.1861 177.1784 103 D 4.7233 7.7206 119.6493 52.2698 40.5406 174.7392 104 K 4.1803 8.1244 123.2276 55.5646 33.1064 177.4966 105 S 4.7978 8.4260 117.3987 56.0359 67.5365 174.7041 106 M 4.0845 8.6709 121.5751 58.6195 31.9823 178.2668 107 E 4.0672 8.2705 118.6423 59.4485 29.8049 179.3427 108 G 3.6815 8.2577 105.5923 47.6552 0.0000 175.2856 109 L 3.9065 8.2485 122.8830 58.0446 41.9619 179.3787 110 K 3.9420 8.2080 118.0544 59.2487 31.7736 179.2926 111 A 4.0191 8.0433 121.2187 55.1173 18.2077 179.7229 112 L 4.0279 8.4821 117.9543 57.9537 41.6089 179.8502 113 R 4.1242 8.2356 118.1588 59.3397 29.9432 178.9045 114 E 3.9598 7.9894 118.4958 59.3435 29.5220 179.5737 115 V 3.5913 7.6474 118.1706 66.0788 31.4048 177.8766 116 I 3.8365 7.9076 118.5703 64.6349 37.4447 177.8711 117 R 4.2332 8.6060 119.6549 59.7040 29.7144 178.7250 118 V 3.6607 7.7035 116.5848 65.4298 31.4238 176.5839 119 C 4.5804 7.4344 114.5719 58.3077 29.1306 173.4512 120 Q 2.5200 7.0284 121.7463 56.4227 28.7301 176.7193 121 V 4.4132 6.9837 117.3763 60.5498 33.3480 175.5114 122 W 4.6757 7.1284 122.7006 56.7146 28.1831 174.7254 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 8.15 4.47 0.00 2.10 2.17 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 2.59 2.54 0.00 2 E 8.10 3.93 0.00 2.15 1.97 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 2.28 2.34 0.00 3 D 9.43 4.40 0.00 2.85 2.80 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 4 T 7.38 4.09 4.25 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 1.22 0.00 0.00 5 P 0.00 4.50 0.00 2.19 2.06 0.00 3.77 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 2.01 1.97 0.00 6 L 8.17 4.20 0.00 1.59 1.58 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.20 3.78 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 0.43 0.00 0.00 0.90 0.00 0.00 8 I 7.69 4.51 1.82 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 1.24 0.54 0.86 0.00 0.00 9 S 8.50 5.25 0.00 3.78 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 10 K 9.07 4.76 0.00 1.73 1.73 0.00 1.48 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.33 7.81 11 Q 8.63 5.21 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.45 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 12 K 8.85 4.65 0.00 1.83 1.63 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.42 7.81 13 T 8.45 5.11 4.23 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 1.24 0.00 0.00 14 E 9.22 4.70 0.00 1.95 1.72 0.00 0.00 0.00 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 2.25 0.00 15 V 8.39 4.20 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 0.82 0.00 0.00 0.92 0.00 0.00 16 V 8.74 4.27 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 1.02 0.00 0.00 0.95 0.00 0.00 17 C 9.86 4.20 0.00 3.13 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 18 G 8.18 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 19 V 7.74 4.38 2.15 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 0.73 0.00 0.00 1.06 0.00 0.00 20 P 0.00 4.55 0.00 1.80 1.93 0.00 3.50 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 2.00 2.10 0.00 21 T 8.90 4.67 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 1.21 0.00 0.00 22 Q 8.79 4.94 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 23 V 8.87 4.92 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 0.95 0.00 0.00 0.97 0.00 0.00 24 V 8.94 5.00 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 0.94 0.00 0.00 0.95 0.00 0.00 25 C 9.23 5.45 0.00 3.11 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 26 T 9.10 4.99 4.25 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 0.66 0.00 0.00 27 A 8.96 4.90 1.26 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 0.00 0.00 28 F 9.31 4.93 0.00 3.13 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 29 S 8.91 4.50 0.00 4.02 4.07 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 0.00 0.00 0.00 30 S 8.16 4.63 0.00 4.01 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 0.00 31 H 7.88 5.33 0.00 3.31 3.22 0.00 5.78 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 32 I 8.55 4.85 1.70 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 0.93 0.55 1.02 0.00 0.00 33 L 9.26 4.91 0.00 2.01 1.94 1.04 0.82 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 34 V 9.22 4.76 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 1.01 0.00 0.00 0.89 0.00 0.00 35 V 9.22 4.72 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 1.00 0.00 0.00 0.98 0.00 0.00 36 V 9.40 4.76 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 0.94 0.00 0.00 1.01 0.00 0.00 37 T 9.00 4.93 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 1.25 0.00 0.00 38 Q 8.43 4.66 0.00 2.07 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.01 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 39 F 8.86 3.58 0.00 3.20 3.07 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 0.00 0.00 0.00 40 G 8.32 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 41 K 7.73 4.45 0.00 1.98 1.77 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.59 7.81 42 M 8.62 4.08 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 43 G 7.99 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 0.00 0.00 0.00 44 T 8.15 4.62 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 1.33 0.00 0.00 45 L 8.95 5.12 0.00 1.50 1.56 0.94 0.70 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 46 V 8.93 4.73 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 0.97 0.00 0.00 0.92 0.00 0.00 47 S 9.31 5.01 0.00 3.88 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 48 L 9.31 5.27 0.00 1.55 1.49 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.05 5.04 0.00 1.84 1.75 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 2.18 2.21 0.00 50 P 0.00 4.86 0.00 2.04 2.02 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.15 0.00 51 S 9.41 4.88 0.00 3.80 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 52 S 7.77 4.75 0.00 3.82 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 53 V 8.23 4.18 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 0.78 0.00 0.00 0.92 0.00 0.00 54 A 8.55 4.40 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 55 S 8.57 4.73 0.00 3.97 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 56 D 8.76 4.41 0.00 2.69 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 57 V 7.74 4.53 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 0.73 0.00 0.00 0.93 0.00 0.00 58 S 7.86 4.63 0.00 3.95 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 59 K 8.30 4.76 0.00 1.66 1.76 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.46 7.81 60 P 0.00 4.33 0.00 1.90 2.18 0.00 3.66 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.17 0.00 61 V 8.77 3.81 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 0.93 0.00 0.00 0.93 0.00 0.00 62 L 8.49 5.21 0.00 1.53 1.54 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.86 4.78 4.25 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 1.21 0.00 0.00 64 T 8.43 5.19 4.28 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 1.23 0.00 0.00 65 K 8.76 4.63 0.00 1.83 1.63 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.39 7.81 66 V 8.56 4.29 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 0.83 0.00 0.00 0.81 0.00 0.00 67 L 9.09 4.51 0.00 1.51 1.69 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.88 4.17 0.00 1.67 1.44 0.92 1.15 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 69 G 8.94 3.68 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 0.00 0.00 0.00 70 Q 7.74 4.19 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 7.20 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 71 D 8.49 4.63 0.00 2.64 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 72 E 8.07 4.84 0.00 2.15 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 0.00 2.24 2.30 0.00 73 P 0.00 4.26 0.00 2.19 2.17 0.00 3.62 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 2.12 2.16 0.00 74 L 7.92 4.03 0.00 1.78 1.68 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.64 3.75 1.87 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 1.51 0.66 0.96 0.00 0.00 76 H 8.26 4.15 0.00 3.39 3.37 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.77 3.63 2.33 0.00 0.00 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 1.01 0.00 0.00 78 F 8.72 4.03 0.00 3.33 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 79 A 8.69 4.01 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 0.00 0.00 0.00 0.00 0.00 80 K 8.07 3.84 0.00 2.01 1.97 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.48 7.81 81 N 8.00 4.40 0.00 2.71 2.76 0.00 0.00 7.05 7.22 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 82 L 7.65 4.07 0.00 1.32 1.74 0.82 1.03 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 83 V 7.73 4.14 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 0.77 0.00 0.00 0.89 0.00 0.00 84 A 8.15 3.96 1.42 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 0.00 0.00 85 F 8.29 4.18 0.00 3.30 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 86 V 6.45 2.22 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 -0.08 0.00 0.00 -0.23 0.00 0.00 87 S 7.23 4.01 0.00 3.79 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 88 Q 7.81 3.93 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 89 E 8.40 4.23 0.00 1.99 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 2.53 2.61 0.00 90 A 7.78 4.74 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.26 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 0.00 0.00 0.00 92 N 8.27 4.26 0.00 2.84 2.89 0.00 0.00 6.88 7.22 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 93 R 7.31 4.12 0.00 1.76 1.77 0.00 3.14 0.00 0.00 3.48 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 94 A 8.25 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.83 4.67 1.99 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 0.89 0.00 0.00 0.71 0.00 0.00 96 L 8.82 4.95 0.00 1.78 1.52 0.90 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 97 L 9.01 5.09 0.00 1.77 1.64 1.05 0.95 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 98 A 8.95 5.25 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.96 4.70 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 0.82 0.00 0.00 1.04 0.00 0.00 100 A 9.36 4.96 1.30 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 0.00 0.00 101 V 7.67 4.57 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 0.94 0.00 0.00 0.98 0.00 0.00 102 K 9.07 4.04 0.00 1.85 1.86 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.50 7.81 103 D 7.72 4.72 0.00 2.66 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 0.00 104 K 8.12 4.18 0.00 1.60 1.32 0.00 1.36 0.00 0.00 0.61 0.00 0.00 2.65 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.95 1.14 7.81 105 S 8.43 4.80 0.00 4.23 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 0.00 106 M 8.67 4.08 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.70 0.00 107 E 8.27 4.07 0.00 2.13 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 0.00 2.42 2.46 0.00 108 G 8.26 3.68 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 0.00 0.00 0.00 109 L 8.25 3.91 0.00 1.86 1.73 0.26 0.38 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 0.00 110 K 8.21 3.94 0.00 1.84 1.81 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.57 7.81 111 A 8.04 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 0.00 112 L 8.48 4.03 0.00 1.90 1.81 1.15 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 113 R 8.24 4.12 0.00 1.76 1.77 0.00 3.00 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.94 0.00 114 E 7.99 3.96 0.00 2.11 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 0.00 2.53 2.45 0.00 115 V 7.65 3.59 2.25 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 1.06 0.00 0.00 1.04 0.00 0.00 116 I 7.91 3.84 2.36 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 0.88 1.19 0.00 0.00 117 R 8.61 4.23 0.00 2.03 2.27 0.00 3.17 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 118 V 7.70 3.66 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 0.88 0.00 0.00 0.95 0.00 0.00 119 C 7.43 4.58 0.00 3.17 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 0.00 120 Q 7.03 2.52 0.00 1.51 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.03 7.38 0.00 0.00 0.00 0.00 0.00 1.42 1.16 0.00 121 V 6.98 4.41 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 0.81 0.00 0.00 1.20 0.00 0.00 122 W 7.13 4.68 0.00 3.30 3.08 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 0.00