NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3969 8.3044 120.3243 54.5821 33.4074 174.7119 2 K 3.8847 8.4054 123.0297 56.0313 32.8274 175.5139 3 K 3.9956 9.5804 127.5903 59.2654 33.1698 176.1592 4 H 4.8426 7.9111 112.5423 54.3823 31.6286 173.8864 5 G 3.8848 8.5265 107.7145 45.2231 0.0000 172.8589 6 I 3.8154 7.8694 118.2082 60.7749 38.5098 175.9223 7 L 4.0436 8.4842 128.8026 57.7974 42.5244 177.5987 8 N 4.4098 8.0683 118.0005 53.3470 39.9211 175.3836 9 S 4.1120 8.6203 123.5812 61.8797 63.0763 176.1849 10 H 4.2341 7.9845 119.3329 58.6824 28.4845 177.6548 11 L 4.0185 8.7291 120.9172 57.6005 41.3858 179.3304 12 A 4.0120 8.1690 120.8269 55.2463 18.0870 179.8621 13 K 3.9638 7.7279 115.3763 59.5578 32.2372 179.4645 14 I 3.9072 7.4867 120.2134 64.3920 37.1598 178.4713 15 L 3.9969 8.3593 120.0348 57.7000 41.1853 179.3064 16 A 4.0551 8.0194 119.9934 54.8437 18.3734 178.4636 17 D 4.6380 7.5752 114.5672 53.4217 41.7500 177.0891 18 L 4.1551 7.3045 120.7109 55.0069 42.3285 176.5878 19 G 4.1999 9.3706 111.2443 43.0610 0.0000 171.5716 20 H 4.4864 8.5225 119.2611 57.8680 29.8985 175.2579 21 T 3.5352 9.0075 117.4957 61.3187 68.7660 171.9560 22 D 4.6030 7.7596 122.1536 54.7217 42.2564 175.5712 23 K 5.2918 8.5666 119.3876 54.6597 36.2438 175.1505 24 I 5.0188 8.4083 115.1522 59.1931 41.4871 174.1290 25 V 4.9031 8.6293 122.8072 61.2568 34.9038 174.1832 26 I 4.9738 8.8706 127.2825 59.6495 39.5524 174.5814 27 A 5.2893 9.5242 129.0302 49.8963 22.9809 175.2027 28 D 5.1982 8.0452 119.8110 52.3609 41.4059 176.9614 29 A 4.1212 8.9906 120.3796 53.8859 17.9630 178.7650 30 G 3.7133 8.4959 103.3031 45.1939 0.0000 174.1921 31 L 3.9715 7.3925 122.1925 54.4899 42.3978 174.9859 32 P 4.4236 0.0000 0.0000 62.4830 32.1954 175.5126 33 V 4.2557 7.9702 119.8793 60.2861 32.8562 173.9858 34 P 4.4290 0.0000 0.0000 62.4135 31.9273 175.4940 35 D 4.3612 8.3002 120.4377 55.7565 41.2190 177.3835 36 G 3.9093 8.9365 110.9447 45.1953 0.0000 173.1524 37 V 4.2014 6.9537 119.5742 60.5062 32.9680 175.0771 38 L 4.1011 8.4366 129.4080 55.1939 43.2261 175.0904 39 K 4.9544 8.6551 127.0120 54.7087 34.5204 174.8875 40 I 4.3354 8.8052 128.9746 59.6986 39.4499 174.2296 41 D 5.0035 8.7022 128.0222 53.1688 41.4723 175.8475 42 L 4.7096 8.7125 126.0664 54.5137 42.7478 177.5999 43 S 4.3981 8.2136 114.3289 58.7589 63.4277 173.4683 44 L 4.5435 8.8500 123.5190 56.2015 43.9182 176.2883 45 K 4.4218 7.5188 114.6165 54.7645 34.9757 172.6314 46 P 3.8499 0.0000 0.0000 64.5246 31.1152 177.0646 47 G 3.8887 10.2842 112.4022 44.9391 0.0000 172.6315 48 L 4.5864 8.1142 122.1533 52.8497 45.2481 174.1661 49 P 4.8921 0.0000 0.0000 62.2108 33.3048 175.2151 50 A 4.7127 8.3037 122.3259 50.9749 20.5041 178.1109 51 F 4.0847 9.8668 123.1087 61.7757 39.4018 178.0569 52 Q 3.0808 7.8815 116.6938 58.8936 28.5428 178.4965 53 D 4.3806 7.8465 119.2676 57.4830 40.8771 178.9561 54 T 3.8354 7.9525 116.0600 66.6302 68.5259 176.7366 55 A 3.9919 7.9159 122.5954 55.0240 18.0676 179.5856 56 A 3.9250 7.9007 118.5957 55.2392 18.6403 179.7570 57 V 3.6852 7.6575 116.2657 66.2040 31.6482 178.2376 58 L 4.0095 8.0505 118.5136 57.7857 41.2160 179.2900 59 A 4.1589 8.0689 120.1469 54.8228 18.3863 178.6852 60 E 4.2593 7.7909 113.4269 57.2075 30.0675 176.7625 61 E 4.5838 7.9480 118.1055 56.2612 31.5069 174.9368 62 M 4.6520 7.9476 117.6574 53.2689 35.2770 174.5689 63 A 4.4017 8.4752 126.8196 51.3099 19.7411 176.0136 64 V 4.7855 8.4188 122.3584 62.2514 32.5934 175.3531 65 E 4.6214 8.8883 125.3345 56.3193 30.9806 175.8565 66 K 4.5684 7.4696 119.5544 55.5881 35.7560 173.7266 67 V 4.7150 8.6380 126.7467 61.0359 34.8053 174.1214 68 I 5.0049 8.6014 126.9695 59.5752 40.7212 174.4566 69 A 4.9148 8.4963 127.0138 49.9364 23.5047 174.0585 70 A 4.9107 7.9050 119.7979 51.0588 20.1339 178.4374 71 A 4.0430 9.7003 125.8718 55.6807 18.4059 180.0081 72 E 3.5462 8.1395 116.1870 59.4560 29.1486 179.4547 73 I 3.6103 7.6565 118.8286 63.9283 37.7967 177.7773 74 K 3.8604 8.0064 118.2671 59.1417 31.8923 178.5144 75 A 4.2694 7.5487 118.9198 54.8468 19.5198 179.4041 76 S 4.3513 8.0285 112.1038 60.2370 64.4507 174.6727 77 N 4.9753 8.3296 120.2271 50.7356 39.1248 174.0536 78 Q 3.9975 8.1821 123.2453 58.7063 29.7635 176.8128 79 E 3.9632 8.1205 119.8464 59.5696 29.8778 178.4684 80 N 4.6025 8.2821 116.3732 56.0725 38.4723 177.4021 81 A 4.1880 8.1934 122.5491 54.9069 18.3477 179.6529 82 K 3.9898 8.2609 118.4018 59.4285 32.3284 178.5846 83 F 4.0879 8.2860 120.8037 61.5048 39.2431 177.0693 84 L 4.2649 8.2946 118.1450 58.0426 41.3028 179.1791 85 E 4.0686 7.8151 117.0386 59.6814 29.5438 179.0418 86 N 4.4019 8.0863 114.8435 56.2814 38.7332 176.9017 87 L 3.6545 7.7469 120.4158 57.0053 43.4775 178.3327 88 F 5.4635 8.1049 120.0432 55.4857 35.6919 176.4824 89 S 4.2021 7.6316 118.1909 62.0114 63.3875 176.4996 90 E 4.2183 8.0692 116.3566 57.6400 29.8884 176.8103 91 Q 4.5959 7.6046 117.7071 54.3679 31.2414 174.6493 92 E 4.4060 8.6908 123.4493 56.3037 30.9372 175.2629 93 I 4.7155 8.4682 128.2319 59.7991 38.9481 174.4249 94 E 4.7162 8.9515 129.2498 54.6936 31.7075 174.1092 95 Y 5.2361 8.6813 123.2337 56.4033 40.7066 174.7052 96 L 5.0997 8.8154 121.9923 52.7491 47.1384 176.0244 97 S 4.4815 8.6576 114.7379 58.1864 63.9332 174.7945 98 H 4.1612 9.1182 121.6862 59.8897 28.9616 177.5732 99 E 4.0024 8.2154 119.6681 59.5711 29.5550 179.0266 100 E 4.0167 8.0863 118.6130 59.0253 29.3327 178.9864 101 F 4.0403 8.5253 121.1062 61.5256 39.2466 177.4128 102 K 3.8955 8.0183 116.3099 59.4200 31.9325 179.0236 103 L 4.0958 7.5371 118.8281 57.7480 41.5311 179.5343 104 L 3.9243 7.6741 118.9589 57.6497 41.5472 179.4159 105 T 3.7904 7.3781 109.6592 64.1875 68.2446 176.4585 106 K 4.0461 7.5546 120.8606 58.6241 32.0846 177.7166 107 D 4.6488 7.7270 116.7060 53.1219 41.5555 176.5602 108 A 4.3285 7.0151 123.2202 51.9088 18.9723 178.2469 109 K 4.2610 9.0467 120.5268 58.7085 32.8281 176.9838 110 A 4.5507 7.2388 119.3680 51.3876 22.5003 175.0411 111 V 4.7292 8.4723 119.5320 61.1768 34.7030 174.4019 112 I 4.7663 9.1746 129.6240 59.8358 39.0911 174.5711 113 R 4.6781 8.8702 129.3217 55.5792 31.3314 176.1085 114 T 4.7638 8.7130 117.7727 60.2326 71.5633 174.5642 115 G 4.1573 8.6976 106.5601 46.1664 0.0000 173.1741 116 E 4.3993 8.2219 123.1929 55.8776 30.5509 177.8765 117 F 4.9830 8.8253 128.6820 57.4936 40.1035 175.5899 118 T 4.6949 7.4298 109.1516 58.6889 71.7972 171.5126 119 P 3.9308 0.0000 0.0000 64.7098 31.7269 175.4987 120 Y 3.4872 7.6311 117.9661 58.9902 35.7157 171.7747 121 A 3.9363 7.0989 120.2879 50.5495 16.6047 177.0159 122 N 5.6468 7.2370 117.1501 51.3537 43.6198 174.4772 123 C 5.1500 9.2605 114.4792 57.6163 33.8198 172.5407 124 I 4.8637 9.0990 122.0962 59.7635 39.4954 174.4646 125 L 4.7025 8.7690 127.7697 53.2072 43.6332 175.2293 126 Q 4.8540 8.8468 126.2931 54.1152 30.7906 174.6343 127 A 4.3516 9.1180 129.8854 52.7750 19.3385 176.8008 128 G 4.1412 9.1460 113.1114 45.2288 0.0000 173.3009 129 V 4.4507 7.9335 119.5134 59.9889 34.3527 174.9861 130 L 4.5310 8.3133 121.0688 54.3726 41.6688 176.9391 131 F 4.4355 7.2446 119.9409 57.5778 37.1570 173.6633 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 4.40 0.00 2.01 2.05 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 2.53 0.00 2 K 8.41 3.88 0.00 1.78 1.71 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.51 7.81 3 K 9.58 4.00 0.00 1.50 1.44 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.38 7.81 4 H 7.91 4.84 0.00 3.13 3.19 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.53 3.88 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 0.00 6 I 7.87 3.82 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 1.31 0.87 0.98 0.00 0.00 7 L 8.48 4.04 0.00 1.63 1.68 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.07 4.41 0.00 2.80 2.70 0.00 0.00 6.95 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 9 S 8.62 4.11 0.00 4.03 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 10 H 7.98 4.23 0.00 3.35 3.37 0.00 5.62 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 11 L 8.73 4.02 0.00 1.83 1.74 0.94 0.90 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 12 A 8.17 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 13 K 7.73 3.96 0.00 1.94 1.91 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.69 7.81 14 I 7.49 3.91 2.03 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 1.74 0.96 0.92 0.00 0.00 15 L 8.36 4.00 0.00 1.81 1.74 0.94 0.97 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 16 A 8.02 4.06 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 17 D 7.58 4.64 0.00 2.63 2.72 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 0.00 0.00 0.00 18 L 7.30 4.16 0.00 1.79 1.63 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 19 G 9.37 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 H 8.52 4.49 0.00 3.02 3.19 0.00 5.77 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 9.01 3.54 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 0.97 0.00 0.00 22 D 7.76 4.60 0.00 2.74 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 23 K 8.57 5.29 0.00 1.61 1.60 0.00 1.54 0.00 0.00 1.80 0.00 0.00 2.83 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.50 7.81 24 I 8.41 5.02 1.88 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 1.12 0.73 0.92 0.00 0.00 25 V 8.63 4.90 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 1.10 0.00 0.00 0.85 0.00 0.00 26 I 8.87 4.97 2.09 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 1.21 0.78 1.02 0.00 0.00 27 A 9.52 5.29 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 28 D 8.05 5.20 0.00 3.05 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 29 A 8.99 4.12 1.18 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 0.00 0.00 30 G 8.50 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 31 L 7.39 3.97 0.00 1.76 1.64 1.08 1.11 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 32 P 0.00 4.42 0.00 2.21 2.02 0.00 3.81 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 1.99 1.95 0.00 33 V 7.97 4.26 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 0.84 0.00 0.00 0.94 0.00 0.00 34 P 0.00 4.43 0.00 2.19 1.93 0.00 3.62 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 35 D 8.30 4.36 0.00 2.65 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.94 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 0.00 0.00 0.00 37 V 6.95 4.20 2.18 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 0.81 0.00 0.00 0.91 0.00 0.00 38 L 8.44 4.10 0.00 1.81 1.67 0.91 0.50 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 39 K 8.66 4.95 0.00 1.77 1.65 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.43 7.81 40 I 8.81 4.34 1.89 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 1.09 0.55 0.94 0.00 0.00 41 D 8.70 5.00 0.00 2.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.71 4.71 0.00 1.60 1.71 0.95 0.82 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 43 S 8.21 4.40 0.00 4.06 4.10 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 44 L 8.85 4.54 0.00 1.53 1.77 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.52 4.42 0.00 1.86 1.82 0.00 1.55 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.37 7.81 46 P 0.00 3.85 0.00 1.59 0.63 0.00 3.50 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.46 0.00 47 G 10.28 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.11 4.59 0.00 1.70 1.58 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.89 0.00 2.13 1.96 0.00 3.67 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 50 A 8.30 4.71 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 51 F 9.87 4.08 0.00 3.09 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 52 Q 7.88 3.08 0.00 1.72 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.68 0.00 0.00 0.00 0.00 0.00 1.16 2.17 0.00 53 D 7.85 4.38 0.00 2.77 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 54 T 7.95 3.84 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 1.21 0.00 0.00 55 A 7.92 3.99 1.17 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 0.00 0.00 56 A 7.90 3.93 1.49 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 57 V 7.66 3.69 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 1.03 0.00 0.00 1.02 0.00 0.00 58 L 8.05 4.01 0.00 2.00 1.78 0.95 0.80 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 59 A 8.07 4.16 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 60 E 7.79 4.26 0.00 2.09 2.05 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 2.56 2.39 0.00 61 E 7.95 4.58 0.00 2.01 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 2.48 2.21 0.00 62 M 7.95 4.65 0.00 2.13 1.91 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 63 A 8.48 4.40 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 64 V 8.42 4.79 2.27 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 0.74 0.00 0.00 1.11 0.00 0.00 65 E 8.89 4.62 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 2.39 2.22 0.00 66 K 7.47 4.57 0.00 1.78 1.58 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.50 7.81 67 V 8.64 4.71 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 0.74 0.00 0.00 -0.05 0.00 0.00 68 I 8.60 5.00 1.91 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.52 0.99 0.00 0.00 69 A 8.50 4.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 7.90 4.91 1.19 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 0.00 0.00 0.00 71 A 9.70 4.04 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 72 E 8.14 3.55 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 1.84 2.11 0.00 73 I 7.66 3.61 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 1.67 1.47 1.08 0.00 0.00 74 K 8.01 3.86 0.00 1.74 1.76 0.00 1.32 0.00 0.00 1.40 0.00 0.00 2.27 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.27 7.81 75 A 7.55 4.27 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.03 4.35 0.00 3.92 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 77 N 8.33 4.98 0.00 2.78 2.61 0.00 0.00 6.67 6.45 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 78 Q 8.18 4.00 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 79 E 8.12 3.96 0.00 2.11 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 2.47 0.00 80 N 8.28 4.60 0.00 2.85 2.88 0.00 0.00 6.97 7.82 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 81 A 8.19 4.19 1.45 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 0.00 0.00 82 K 8.26 3.99 0.00 2.02 2.07 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.66 1.49 7.81 83 F 8.29 4.09 0.00 3.44 3.46 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 0.00 0.00 0.00 0.00 84 L 8.29 4.26 0.00 2.18 1.95 1.12 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 85 E 7.82 4.07 0.00 2.15 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 2.70 2.61 0.00 86 N 8.09 4.40 0.00 2.65 2.73 0.00 0.00 7.06 8.63 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 87 L 7.75 3.65 0.00 0.77 1.22 0.50 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.10 5.46 0.00 3.14 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 89 S 7.63 4.20 0.00 3.84 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 90 E 8.07 4.22 0.00 1.98 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 2.32 2.33 0.00 91 Q 7.60 4.60 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.00 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 92 E 8.69 4.41 0.00 2.06 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 2.38 2.36 0.00 93 I 8.47 4.72 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.99 0.73 0.00 0.00 94 E 8.95 4.72 0.00 2.02 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 2.24 2.31 0.00 95 Y 8.68 5.24 0.00 2.86 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 96 L 8.82 5.10 0.00 1.69 1.59 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.66 4.48 0.00 4.03 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 0.00 98 H 9.12 4.16 0.00 3.58 3.55 0.00 5.78 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 99 E 8.22 4.00 0.00 2.06 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 2.47 2.38 0.00 100 E 8.09 4.02 0.00 2.11 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 2.35 2.35 0.00 101 F 8.53 4.04 0.00 3.24 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 0.00 102 K 8.02 3.90 0.00 1.91 1.84 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.55 7.81 103 L 7.54 4.10 0.00 1.88 1.68 0.92 0.48 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 0.00 104 L 7.67 3.92 0.00 1.70 1.49 0.95 0.44 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 0.00 105 T 7.38 3.79 4.12 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 0.87 0.00 0.00 106 K 7.55 4.05 0.00 1.75 1.88 0.00 1.66 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.48 7.81 107 D 7.73 4.65 0.00 2.70 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 0.00 108 A 7.02 4.33 1.21 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 0.00 0.00 109 K 9.05 4.26 0.00 1.60 1.88 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.54 7.81 110 A 7.24 4.55 1.19 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 0.00 0.00 0.00 111 V 8.47 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 1.10 0.00 0.00 0.93 0.00 0.00 112 I 9.17 4.77 1.99 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 1.14 0.77 0.95 0.00 0.00 113 R 8.87 4.68 0.00 1.92 1.95 0.00 3.09 0.00 0.00 3.61 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 114 T 8.71 4.76 4.50 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 1.30 0.00 0.00 115 G 8.70 4.16 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 0.00 116 E 8.22 4.40 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 2.31 2.36 0.00 117 F 8.83 4.98 0.00 2.91 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 0.00 118 T 7.43 4.69 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 1.28 0.00 0.00 119 P 0.00 3.93 0.00 2.19 2.05 0.00 3.83 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 120 Y 7.63 3.49 0.00 2.94 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 0.00 121 A 7.10 3.94 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 0.00 122 N 7.24 5.65 0.00 2.23 2.86 0.00 0.00 7.04 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 0.00 123 C 9.26 5.15 0.00 3.18 3.21 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 0.00 124 I 9.10 4.86 1.87 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.64 0.84 0.00 0.00 125 L 8.77 4.70 0.00 1.57 1.54 1.00 0.28 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 0.00 126 Q 8.85 4.85 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.98 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 127 A 9.12 4.35 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 0.00 128 G 9.15 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 0.00 0.00 0.00 129 V 7.93 4.45 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.04 0.00 0.00 130 L 8.31 4.53 0.00 1.85 1.83 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.24 4.44 0.00 3.11 2.94 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