NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2253 8.3049 118.1925 53.4558 33.0887 174.6525 2 L 3.2632 8.0340 116.6995 53.7671 38.5744 172.4414 3 T 3.8976 8.4909 115.1848 64.0033 69.6821 174.8182 4 D 4.4810 7.7296 121.6673 50.7895 43.7939 173.4617 5 P 4.2076 0.0000 0.0000 66.2613 31.3454 177.8252 6 I 3.5839 7.9444 119.2582 64.2496 37.1226 177.5454 7 A 3.9113 9.1188 121.3196 55.8912 18.1005 178.8254 8 D 4.1946 7.8566 115.7532 57.1291 41.3304 177.7929 9 M 3.7573 8.7083 118.6790 59.0514 32.3524 178.4978 10 L 3.8937 8.0681 118.7985 58.3368 41.7332 179.8958 11 T 3.8590 7.7129 115.2019 66.2927 68.2438 177.0278 12 R 3.8423 8.2240 120.5456 59.3163 30.1644 178.6971 13 I 3.6003 7.5743 119.4590 64.5895 37.0198 178.0701 14 R 3.7241 7.7282 118.9417 59.8356 29.6673 178.3573 15 N 4.3097 8.2686 114.5511 56.3842 38.4313 176.6259 16 A 4.1542 8.3048 123.3829 54.3025 18.6385 179.2994 17 T 3.3809 8.7314 108.0802 64.7278 68.4016 176.0282 18 R 3.6988 7.4755 120.1358 58.0386 30.2188 177.5887 19 V 3.8926 8.4565 110.9444 60.4249 32.6136 174.9846 20 Y 4.4400 7.0967 113.8004 59.6699 35.0878 169.4447 21 K 4.3745 8.2443 118.2818 55.3217 33.8824 176.5653 22 E 4.1948 9.0336 125.5156 59.0228 29.8951 175.6338 23 S 5.3701 7.1334 110.7669 59.8613 66.0138 170.9996 24 T 4.0725 7.1444 111.1638 62.9378 72.2028 171.7765 25 D 5.8500 8.6549 121.2570 51.9078 45.2788 175.4772 26 V 4.1375 8.7024 113.5988 61.7579 33.6927 169.2784 27 P 3.4789 0.0000 0.0000 58.5574 31.8218 175.7385 28 A 4.0391 9.2234 128.5470 52.1567 19.1817 177.1972 29 S 4.3064 8.4874 116.9407 55.7130 64.2173 174.1368 30 R 4.2774 8.8373 129.0825 59.6945 29.4013 177.4402 31 F 4.1205 8.1605 119.5252 60.5859 39.4655 177.4260 32 K 3.7845 8.3986 117.5389 59.2119 31.9524 177.9208 33 E 3.5563 8.2263 119.8341 58.5529 29.3362 178.1337 34 E 3.8421 7.9309 117.5434 59.8360 29.8645 180.0721 35 I 3.5516 6.9967 118.9953 64.2960 37.0698 178.5259 36 L 3.9316 7.9021 120.2417 58.0081 41.2318 179.0316 37 R 4.1699 7.9497 118.4561 59.2620 29.6845 178.1483 38 I 3.2534 8.3429 120.1511 64.0168 37.3286 178.6070 39 L 4.1363 7.7537 119.6437 57.7545 41.1534 179.0126 40 A 4.2895 7.9783 120.1970 54.6885 18.5655 179.3373 41 R 3.8188 8.7333 117.8779 59.0431 30.1634 176.8653 42 E 4.4197 7.9218 114.1408 55.4295 30.2014 175.5941 43 G 3.6834 9.0516 108.2610 46.3951 0.0000 173.4508 44 F 4.9658 8.6836 116.6219 57.8676 41.0881 176.7566 45 I 4.9653 7.7083 109.9245 58.7875 40.7336 176.8847 46 K 4.1315 9.2529 123.1920 58.4769 32.6742 178.1256 47 G 3.7538 6.4958 106.2078 46.1850 0.0000 170.9724 48 Y 5.8291 7.8743 118.4367 57.9175 40.4800 172.6364 49 E 4.7842 8.2967 115.0813 54.7839 32.3361 176.0543 50 R 5.1259 8.3491 121.4696 56.3918 27.0395 175.7831 51 V 4.0623 7.5277 115.0621 61.3381 34.3086 175.8916 52 D 4.8669 8.3250 120.2910 53.3797 44.3081 176.4026 53 V 3.6081 8.8856 125.6112 62.0478 30.9224 175.1698 54 D 4.4173 9.1050 129.9697 55.5407 37.6663 174.6783 55 G 3.8773 7.9665 102.2594 45.9108 0.0000 172.2378 56 K 4.4520 7.7265 120.3986 53.3798 33.0615 173.5053 57 P 4.7413 0.0000 0.0000 64.1703 32.0054 174.6782 58 Y 5.5830 8.6644 123.1215 56.1174 42.5567 174.1520 59 L 5.0250 8.4072 117.8638 53.7208 46.4200 175.7445 60 R 4.7447 8.8972 124.3148 55.0986 31.8481 174.9670 61 V 4.2678 8.1997 126.8740 61.5485 33.5176 174.3725 62 Y 4.9536 8.4815 127.5411 56.5403 37.8749 174.7869 63 L 4.4219 8.6130 124.3208 54.7901 42.5841 176.5471 64 K 4.7172 8.7247 124.6660 55.4829 33.4173 174.8152 65 Y 4.8541 8.9643 123.9269 56.2544 42.2023 174.5919 66 G 4.1569 8.6557 107.8127 44.1663 0.0000 171.8913 67 P 4.5568 0.0000 0.0000 62.1803 31.9999 176.2118 68 R 3.9460 8.5852 123.0311 56.9363 30.9689 174.2378 69 R 4.8039 8.4825 119.5485 54.7705 34.4779 174.1219 70 Q 4.5084 8.4976 118.4197 54.7448 31.7997 176.2507 71 G 3.9068 8.4188 106.9151 44.4787 0.0000 171.6550 72 P 4.2204 0.0000 0.0000 63.8600 31.9701 175.6569 73 D 4.3349 8.7413 117.7247 54.7185 39.0933 172.4163 74 P 4.4092 0.0000 0.0000 63.9057 32.0783 177.6136 75 R 4.0088 7.4763 118.9871 55.7134 30.4135 175.3693 76 P 4.4649 0.0000 0.0000 62.7869 32.3065 173.6585 77 E 4.7561 8.2941 118.8311 55.5382 31.6011 174.7657 78 Q 4.6410 8.0444 114.5757 54.5811 32.9726 175.0320 79 V 3.7603 8.3555 119.4088 65.0457 31.7789 175.9483 80 I 4.4885 7.3313 120.4544 59.8471 37.0421 174.9966 81 H 4.2294 8.7025 121.9989 58.1897 29.3180 175.5721 82 H 4.3579 7.9749 120.5264 53.9455 32.2278 171.5584 83 I 4.3857 7.8299 125.8405 58.9536 40.3232 174.4505 84 R 4.5215 8.2111 128.2072 54.8241 33.8211 173.6774 85 R 4.0573 8.5164 126.0044 56.3386 30.7154 174.1558 86 I 4.1967 8.1948 123.6896 62.6819 38.7037 175.4232 87 S 4.0512 8.2423 126.0096 59.0896 61.9332 173.9069 88 K 4.5450 8.5820 127.6149 53.9087 34.4808 176.1404 89 P 4.3406 0.0000 0.0000 65.9232 31.3590 178.7354 90 G 3.5995 8.1022 105.7842 47.5192 0.0000 173.0115 91 R 4.4147 7.4050 118.2683 53.8814 30.7542 174.4312 92 R 4.3648 8.3355 123.6232 55.7402 31.1271 176.4697 93 V 4.3552 8.3590 121.0084 61.4977 34.6248 173.9846 94 Y 4.9018 8.6084 124.6409 55.8892 39.1776 174.6806 95 V 3.3654 8.4222 117.9716 61.3599 32.6825 176.2145 96 G 3.8364 9.9624 115.9242 46.5303 0.0000 174.3990 97 V 4.3736 7.5280 118.3467 62.0180 39.1340 175.8617 98 K 4.2349 8.1190 117.6877 57.1818 32.6381 176.8809 99 E 4.4573 7.9002 118.0502 56.3390 30.2955 176.3170 100 I 3.7837 7.3220 120.4485 60.9039 37.5926 174.2554 101 P 4.6414 0.0000 0.0000 62.3568 32.9201 176.7880 102 R 4.5795 7.8314 114.9481 54.4693 30.5078 175.1808 103 V 3.5443 7.6101 117.1456 64.0348 32.2550 175.5145 104 R 3.4450 9.3901 126.6700 57.0123 28.3874 177.9502 105 R 4.0614 8.1926 117.8978 55.4089 30.9933 176.9480 106 G 4.6896 7.3602 115.6508 46.8709 0.0000 173.8490 107 L 4.1876 7.9861 116.8846 55.5781 41.5847 176.2501 108 G 4.5495 7.7264 105.2096 44.3312 0.0000 172.2094 109 I 5.0376 8.8714 119.2973 59.0217 41.7478 174.3019 110 A 5.0084 9.2665 129.8780 49.9931 20.3645 175.1915 111 I 4.2516 8.4998 122.6958 62.0695 38.6129 175.3579 112 L 4.9601 8.2129 123.6020 54.9627 44.0624 174.3874 113 S 5.0495 8.7306 117.4915 58.6809 64.6294 173.3499 114 T 4.9751 8.3894 112.0231 60.2354 72.0921 174.6898 115 S 4.2567 9.0180 116.5781 60.4067 62.6338 174.5097 116 K 4.4747 7.5663 119.4983 56.2516 32.2383 177.1590 117 G 3.8739 8.0322 110.0659 44.4699 0.0000 172.6759 118 V 3.9441 8.3263 118.6214 63.4741 31.1123 175.0794 119 L 5.2385 8.6453 132.8452 54.1334 45.3629 175.2894 120 T 4.6051 8.3654 110.4652 60.2370 72.4008 174.1065 121 D 4.4834 8.6996 120.8154 57.5181 38.8553 179.0999 122 R 4.1891 8.0247 118.7663 58.9504 30.2696 178.8035 123 E 4.0069 8.1301 117.6259 59.2871 29.4358 179.5182 124 A 3.9851 8.7555 121.8992 55.3029 18.4713 179.9152 125 R 3.9850 8.6883 116.1962 59.1470 30.1192 178.6284 126 K 4.1186 8.2376 120.2046 59.0931 32.3967 178.2488 127 L 4.1628 8.3310 120.4359 55.0524 42.7064 176.6841 128 G 3.6745 8.2149 106.3049 46.3926 0.0000 172.1194 129 V 4.5224 7.1960 109.5915 60.1055 36.2598 174.6351 130 G 4.6506 6.8644 107.7741 45.6254 0.0000 172.4375 131 G 4.1661 7.6427 103.1791 45.2382 0.0000 170.4349 132 E 4.2356 8.2837 120.7752 56.2594 30.6968 177.8707 133 L 4.3515 8.4463 130.0373 54.0034 40.6423 176.4227 134 I 3.6640 8.0075 122.0187 63.0428 37.5873 174.8680 135 C 5.0430 8.5908 113.7105 57.8467 33.7731 171.8075 136 E 5.1827 8.4395 117.5875 55.0037 32.1420 175.0944 137 V 4.7032 8.7833 120.2975 60.6221 36.0056 175.0567 138 W 4.1628 7.9567 121.6233 57.6290 28.8279 174.2669 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 4.23 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 2 L 8.03 3.26 0.00 1.81 1.69 0.88 0.57 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 3 T 8.49 3.90 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 1.20 0.00 0.00 4 D 7.73 4.48 0.00 2.73 2.50 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 5 P 0.00 4.21 0.00 2.28 2.26 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 6 I 7.94 3.58 2.05 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 1.79 0.55 0.89 0.00 0.00 7 A 9.12 3.91 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 7.86 4.19 0.00 2.78 2.77 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 9 M 8.71 3.76 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 10 L 8.07 3.89 0.00 1.62 1.58 0.81 0.72 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 11 T 7.71 3.86 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 1.16 0.00 0.00 12 R 8.22 3.84 0.00 2.01 1.94 0.00 3.12 0.00 0.00 3.32 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 13 I 7.57 3.60 1.83 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 1.55 0.77 0.82 0.00 0.00 14 R 7.73 3.72 0.00 1.92 2.02 0.00 3.00 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 15 N 8.27 4.31 0.00 2.66 2.83 0.00 0.00 7.11 6.89 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 16 A 8.30 4.15 1.36 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 0.00 0.00 17 T 8.73 3.38 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 1.10 0.00 0.00 18 R 7.48 3.70 0.00 1.88 1.85 0.00 3.20 0.00 0.00 3.08 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 19 V 8.46 3.89 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 0.85 0.00 0.00 1.06 0.00 0.00 20 Y 7.10 4.44 0.00 3.37 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 21 K 8.24 4.37 0.00 1.82 1.79 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 22 E 9.03 4.19 0.00 2.02 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 2.57 2.49 0.00 23 S 7.13 5.37 0.00 3.58 3.67 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 24 T 7.14 4.07 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 1.18 0.00 0.00 25 D 8.65 5.85 0.00 2.69 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 26 V 8.70 4.14 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 0.72 0.00 0.00 0.82 0.00 0.00 27 P 0.00 3.48 0.00 1.70 1.64 0.00 3.41 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.24 0.00 28 A 9.22 4.04 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 29 S 8.49 4.31 0.00 3.78 3.67 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 30 R 8.84 4.28 0.00 1.94 2.02 0.00 3.26 0.00 0.00 3.30 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.77 0.00 31 F 8.16 4.12 0.00 3.12 3.03 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 32 K 8.40 3.78 0.00 1.72 1.73 0.00 1.84 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.46 7.81 33 E 8.23 3.56 0.00 2.13 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 2.43 2.36 0.00 34 E 7.93 3.84 0.00 1.64 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 2.36 2.50 0.00 35 I 7.00 3.55 1.80 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.90 0.76 0.00 0.00 36 L 7.90 3.93 0.00 1.32 1.23 0.47 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.95 4.17 0.00 2.06 2.09 0.00 3.25 0.00 0.00 3.40 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.83 0.00 38 I 8.34 3.25 1.94 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 1.55 0.97 0.96 0.00 0.00 39 L 7.75 4.14 0.00 1.90 1.80 0.80 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.98 4.29 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 41 R 8.73 3.82 0.00 1.79 2.14 0.00 3.27 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 42 E 7.92 4.42 0.00 2.25 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 2.54 2.50 0.00 43 G 9.05 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 44 F 8.68 4.97 0.00 3.21 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 45 I 7.71 4.97 2.16 0.00 0.00 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 1.54 1.11 0.99 0.00 0.00 46 K 9.25 4.13 0.00 1.93 1.96 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.54 7.81 47 G 6.50 3.75 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 0.00 0.00 0.00 48 Y 7.87 5.83 0.00 3.19 2.99 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 0.00 0.00 0.00 0.00 49 E 8.30 4.78 0.00 2.11 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 0.00 2.64 2.49 0.00 50 R 8.35 5.13 0.00 1.80 2.04 0.00 3.33 0.00 0.00 3.95 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 51 V 7.53 4.06 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 0.99 0.00 0.00 1.00 0.00 0.00 52 D 8.33 4.87 0.00 2.49 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 53 V 8.89 3.61 1.03 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 0.62 0.00 0.00 0.06 0.00 0.00 54 D 9.11 4.42 0.00 2.83 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 55 G 7.97 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 56 K 7.73 4.45 0.00 2.22 2.00 0.00 1.85 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.64 7.81 57 P 0.00 4.74 0.00 2.14 2.29 0.00 3.71 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 58 Y 8.66 5.58 0.00 2.80 2.92 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 59 L 8.41 5.03 0.00 1.48 1.44 0.73 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.90 4.74 0.00 2.06 1.38 0.00 3.24 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.53 0.00 61 V 8.20 4.27 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 1.00 0.00 0.00 0.87 0.00 0.00 62 Y 8.48 4.95 0.00 3.10 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 63 L 8.61 4.42 0.00 2.15 1.58 0.91 0.92 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 64 K 8.72 4.72 0.00 1.87 2.00 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.43 1.55 7.81 65 Y 8.96 4.85 0.00 2.90 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 66 G 8.66 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 67 P 0.00 4.56 0.00 2.09 2.07 0.00 3.84 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 68 R 8.59 3.95 0.00 1.78 1.90 0.00 3.13 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 69 R 8.48 4.80 0.00 1.69 1.80 0.00 3.19 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 70 Q 8.50 4.51 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.93 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 71 G 8.42 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 72 P 0.00 4.22 0.00 2.06 2.02 0.00 3.84 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 2.04 2.09 0.00 73 D 8.74 4.33 0.00 2.84 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 74 P 0.00 4.41 0.00 2.23 2.27 0.00 3.77 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 1.98 0.00 75 R 7.48 4.01 0.00 2.01 1.75 0.00 3.76 0.00 0.00 3.46 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 76 P 0.00 4.46 0.00 2.27 2.13 0.00 3.05 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 77 E 8.29 4.76 0.00 2.01 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 0.00 2.28 2.40 0.00 78 Q 8.04 4.64 0.00 1.92 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 79 V 8.36 3.76 2.32 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 0.91 0.00 0.00 1.06 0.00 0.00 80 I 7.33 4.49 1.74 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.88 0.67 0.00 0.00 81 H 8.70 4.23 0.00 3.00 3.37 0.00 5.84 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.97 4.36 0.00 1.93 1.31 0.00 5.72 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.83 4.39 1.56 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.74 0.69 0.00 0.00 84 R 8.21 4.52 0.00 1.59 1.54 0.00 3.16 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 85 R 8.52 4.06 0.00 1.80 1.75 0.00 3.22 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.79 0.00 86 I 8.19 4.20 2.05 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 1.10 1.03 0.89 0.00 0.00 87 S 8.24 4.05 0.00 3.89 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 88 K 8.58 4.54 0.00 1.83 1.70 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.65 7.81 89 P 0.00 4.34 0.00 2.03 2.09 0.00 3.66 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 2.01 2.06 0.00 90 G 8.10 3.60 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 0.00 0.00 0.00 91 R 7.41 4.41 0.00 1.78 1.78 0.00 3.09 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 92 R 8.34 4.36 0.00 2.02 2.07 0.00 3.35 0.00 0.00 3.06 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 93 V 8.36 4.36 1.95 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 1.05 0.00 0.00 0.96 0.00 0.00 94 Y 8.61 4.90 0.00 2.86 2.87 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 95 V 8.42 3.37 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 0.77 0.00 0.00 1.01 0.00 0.00 96 G 9.96 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 0.00 0.00 0.00 97 V 7.53 4.37 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 0.72 0.00 0.00 1.01 0.00 0.00 98 K 8.12 4.23 0.00 1.89 1.98 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.47 7.81 99 E 7.90 4.46 0.00 1.99 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 2.25 2.32 0.00 100 I 7.32 3.78 1.92 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 1.32 0.58 0.93 0.00 0.00 101 P 0.00 4.64 0.00 2.07 2.02 0.00 3.63 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 2.04 2.11 0.00 102 R 7.83 4.58 0.00 1.84 1.80 0.00 3.21 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 103 V 7.61 3.54 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 1.26 0.00 0.00 1.03 0.00 0.00 104 R 9.39 3.45 0.00 1.21 1.69 0.00 2.52 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.22 0.00 105 R 8.19 4.06 0.00 1.88 1.97 0.00 3.44 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 106 G 7.36 4.69 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 0.00 0.00 0.00 107 L 7.99 4.19 0.00 1.58 1.74 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.73 4.55 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 0.00 0.00 0.00 109 I 8.87 5.04 2.04 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 1.23 1.99 1.18 0.00 0.00 110 A 9.27 5.01 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 0.00 111 I 8.50 4.25 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.80 0.88 0.00 0.00 112 L 8.21 4.96 0.00 2.01 1.71 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.73 5.05 0.00 3.92 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 0.00 114 T 8.39 4.98 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 1.25 0.00 0.00 115 S 9.02 4.26 0.00 3.87 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 0.00 116 K 7.57 4.47 0.00 1.76 1.79 0.00 1.93 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.51 7.81 117 G 8.03 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 0.00 0.00 0.00 118 V 8.33 3.94 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 0.70 0.00 0.00 0.86 0.00 0.00 119 L 8.65 5.24 0.00 1.63 1.52 0.97 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.37 4.61 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 1.28 0.00 0.00 121 D 8.70 4.48 0.00 2.96 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 0.00 122 R 8.02 4.19 0.00 1.89 2.06 0.00 3.15 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 123 E 8.13 4.01 0.00 2.06 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 2.35 2.35 0.00 124 A 8.76 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.69 3.98 0.00 1.89 2.03 0.00 3.18 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 126 K 8.24 4.12 0.00 1.90 1.94 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 127 L 8.33 4.16 0.00 1.67 1.73 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.21 3.67 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 0.00 0.00 0.00 129 V 7.20 4.52 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 0.78 0.00 0.00 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