NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 A 4.2368 8.2644 123.5951 51.7119 20.6887 176.5280 9 L 4.3216 8.0048 117.9135 53.6989 42.0017 174.0428 10 K 4.7669 10.7800 129.7145 56.0387 34.4475 175.8594 11 I 5.0774 9.3847 125.6640 59.3291 41.1130 174.1416 12 L 5.3467 9.0546 127.9771 53.4352 45.0331 174.8379 13 I 4.8844 9.0963 127.3845 59.6761 39.9437 174.9305 14 V 4.8440 9.1779 126.4297 61.2334 34.2450 173.6510 15 E 5.1251 9.1299 129.1857 54.6772 32.9144 175.3151 16 D 4.9142 9.0187 124.4711 53.2724 40.4794 175.9145 17 D 4.7264 7.9742 121.0211 53.0959 42.2017 176.1318 18 T 3.9213 8.6068 124.8440 67.2404 68.6280 175.9769 19 D 4.3801 8.1205 119.6050 57.1978 40.8860 178.5652 20 A 4.1267 8.7315 121.6747 55.1711 18.3888 179.3947 21 R 3.8940 8.5016 117.5860 60.0438 30.2053 178.6686 22 E 4.0074 8.5091 118.1320 58.8835 29.5194 179.2268 23 W 4.2386 8.2870 128.5913 60.3545 30.8063 178.1135 24 L 3.4214 8.2490 119.0531 57.6588 41.0246 179.4539 25 S 4.0560 8.2052 115.2635 62.0439 62.7309 176.8886 26 T 3.8037 7.8610 118.2971 66.7120 68.1771 176.8289 27 I 3.6796 7.3274 114.4769 63.8854 37.3907 178.4207 28 I 3.7740 7.5437 121.7399 64.2743 36.8817 178.4811 29 S 5.0780 8.0999 114.9292 60.4969 62.6359 175.7500 30 N 4.3650 7.6345 119.7387 56.2625 38.4139 175.3827 31 H 4.4574 7.6032 111.5821 55.3377 30.6015 174.5143 32 F 4.6601 8.5777 118.9493 54.8244 40.6861 174.1302 33 P 4.1242 0.0000 0.0000 65.8667 31.6328 178.0574 34 E 3.8320 7.8130 120.3532 54.9830 27.8801 174.7125 35 V 4.7839 6.9015 120.6482 60.5163 35.0310 174.2467 36 W 5.2178 9.3527 126.0890 54.9982 33.5768 174.3178 37 S 5.3456 8.8102 115.1517 56.9182 65.7852 172.7937 38 A 5.6791 9.0284 123.0077 49.6091 22.5211 176.7770 39 G 4.3439 9.3146 107.0939 45.7255 0.0000 173.4166 40 D 5.1585 7.6765 118.6452 50.4830 43.9602 176.2805 41 G 3.9487 7.9503 106.0637 47.3230 0.0000 175.4031 42 E 3.9051 8.2509 121.4312 59.1888 29.6338 178.4310 43 E 4.0608 9.2193 119.5867 59.1787 29.6102 179.0039 44 G 3.6255 8.2556 105.9600 47.8343 0.0000 175.3499 45 E 3.9862 8.8599 122.2768 58.8054 29.7004 178.9336 46 R 3.8591 8.0001 118.8920 59.5030 30.2196 178.6107 47 L 3.9462 8.1401 118.6991 57.4213 41.5666 179.2398 48 F 4.0348 8.4425 121.2832 60.9691 39.0623 177.5016 49 G 3.5771 7.9312 104.8202 47.3933 0.0000 175.5553 50 L 3.9527 7.3964 119.9954 57.1994 41.8695 178.2285 51 H 4.3425 7.3910 112.2239 53.7299 31.0374 174.5898 52 A 2.7275 7.0624 120.5357 52.1116 15.8268 174.6076 53 P 4.5260 0.0000 0.0000 61.8782 33.0445 177.4892 54 D 4.5752 8.9727 120.2264 56.4272 42.0791 176.6012 55 V 4.8331 7.8023 117.1807 60.8963 35.3444 174.4040 56 I 4.9467 9.1112 127.4480 59.6138 40.4850 174.3463 57 I 4.9050 9.1131 128.6189 59.8983 39.1740 174.7290 58 T 5.1231 9.1220 121.6694 60.3753 71.2020 172.5425 59 D 4.7519 8.7448 125.9495 53.8817 43.2752 175.6171 60 I 4.3274 8.3211 119.8639 63.0167 38.1101 176.0419 61 R 4.3002 7.7125 122.1561 55.4438 31.4048 174.6603 *63 P 4.1218 0.0000 0.0000 63.2844 32.6230 176.7375 64 K 4.0356 9.0818 123.2049 56.8994 30.7222 176.3211 65 L 4.4413 7.2946 119.2275 53.3686 44.5257 175.4969 66 G 4.3696 8.1612 114.5047 44.7022 0.0000 174.3376 67 G 3.5875 8.6644 109.1293 47.8285 0.0000 175.6515 68 L 4.1488 8.0574 119.8498 57.8534 41.9163 179.8302 69 E 4.2813 7.6794 115.2290 56.9445 28.8057 178.8045 *71 L 4.1050 8.0049 121.4187 54.8538 43.9472 178.8510 72 D 4.2620 8.2499 117.6975 57.3162 40.8215 178.5701 73 R 3.9383 7.6711 117.6245 59.0421 30.3611 178.7672 74 I 3.7326 7.4719 119.1506 64.2978 37.1469 178.4367 75 K 4.0397 8.2390 119.4392 59.3951 31.6617 179.1845 76 A 4.3132 7.8300 119.7215 54.3455 18.3276 178.9502 77 G 3.8284 7.7608 102.6107 45.1018 0.0000 174.7353 78 G 3.9420 8.3174 109.4323 44.9339 0.0000 173.8001 79 A 4.3594 7.5098 121.7166 51.9328 19.7900 178.0884 80 K 4.5139 8.0241 117.8249 54.3776 32.7700 173.7223 81 P 4.5228 0.0000 0.0000 62.0649 33.8135 176.8540 82 Y 3.9532 8.6277 118.2639 57.3159 39.1574 175.0501 83 V 4.7720 8.8321 123.3763 61.0853 34.7683 173.8874 84 I 4.8815 9.0094 128.6712 59.5217 40.2410 174.4818 85 V 4.6569 8.3165 127.8627 60.8542 33.0714 176.2040 86 I 5.3965 8.3648 124.2789 60.3112 37.5332 175.2691 87 S 4.8020 8.0681 114.7664 57.6049 66.2340 172.7411 88 A 4.3168 8.3812 125.5063 50.1823 20.9922 175.4753 89 F 5.0621 8.6578 119.8517 56.0962 40.7316 175.6570 90 S 4.5932 8.6833 117.0564 58.8757 63.9687 171.7996 91 E 4.1650 7.8000 117.1963 56.5547 30.7133 183.4767 *93 K 4.2949 8.5204 118.7662 56.8974 34.1749 176.4647 *94 Y 3.9425 7.2737 120.0655 61.6250 36.6535 180.6488 95 F 4.6253 7.6042 124.5023 62.0476 39.5837 177.9108 96 I 3.4651 7.7269 119.2397 64.9838 35.1335 179.6798 97 K 4.1052 8.0489 121.0735 59.1116 32.0299 178.7974 98 A 4.0402 8.0570 121.3563 55.2943 18.2959 179.6965 99 I 3.8167 7.5237 109.6718 63.1975 37.6842 177.7614 100 E 3.9999 7.6888 121.2191 59.4394 29.6803 178.5214 101 L 4.2986 7.8531 117.3505 55.2664 42.2772 176.6680 102 G 3.6772 7.8892 107.1895 45.9349 0.0000 172.3949 103 V 4.2280 7.5689 123.8574 61.3038 33.7541 175.1769 104 H 4.8610 8.6698 121.5503 56.2578 30.0780 174.9272 105 L 4.4358 7.1736 117.0870 54.2240 45.3329 172.8292 106 F 5.0154 9.1770 124.0856 55.7068 40.9954 175.6079 107 L 4.8906 8.9878 128.0850 52.0569 41.3133 173.3593 108 P 4.6612 0.0000 0.0000 62.9775 32.3302 178.1091 109 K 4.4510 8.5472 123.5171 53.1880 32.6438 174.7781 110 P 4.4238 0.0000 0.0000 62.5495 31.8590 176.2481 111 I 4.0512 8.3011 122.9990 61.1866 37.8559 176.4008 112 E 4.4907 8.7528 124.1912 53.8149 28.6086 174.9326 113 P 4.1287 0.0000 0.0000 66.5129 32.0839 179.3082 114 G 3.5584 8.4088 109.3522 49.0195 0.0000 175.4586 115 R 4.8423 8.3399 118.9095 58.3797 29.7308 180.3170 116 L 3.8748 7.5273 115.8166 56.4279 41.9583 178.0411 *118 E 4.2487 8.2177 118.1627 56.7291 31.6007 178.2337 119 T 3.4870 7.7536 115.2518 66.4652 68.3762 176.6988 120 L 3.9615 7.7240 120.8283 57.7415 41.4776 179.3157 121 E 4.0761 8.1475 117.9791 59.6577 29.4531 178.9822 122 D 4.2923 7.7114 118.6614 57.4622 40.8055 178.9227 123 F 4.2076 7.5926 118.4124 60.4186 38.8213 177.9192 124 R 4.0787 8.2013 115.9065 59.3989 29.3739 178.3674 125 H 4.2300 8.4131 117.2051 58.8592 28.7790 177.6620 126 I 3.7371 7.9165 121.2252 64.3429 36.8948 178.2403 127 K 3.9775 8.3043 120.4250 59.5997 31.9740 178.6777 128 L 4.3740 8.9526 120.4163 57.3380 41.3848 178.9066 129 A 4.0347 7.8895 119.8572 54.7086 18.6089 180.6139 130 K 4.3937 8.1302 115.1269 62.2061 34.1408 176.2120 131 E 4.5776 8.4175 124.8246 58.7596 28.8897 176.6013 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 8 A 8.26 4.24 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 9 L 8.00 4.32 0.00 1.87 1.87 1.06 0.19 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 10 K 10.78 4.77 0.00 1.92 2.04 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.73 1.56 7.81 11 I 9.38 5.08 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 1.00 0.94 0.87 0.00 0.00 12 L 9.05 5.35 0.00 1.90 1.63 1.08 1.36 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 13 I 9.10 4.88 1.91 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 1.11 0.57 0.94 0.00 0.00 14 V 9.18 4.84 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 0.97 0.00 0.00 0.97 0.00 0.00 15 E 9.13 5.13 0.00 2.13 1.76 0.00 0.00 0.00 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 2.57 0.00 16 D 9.02 4.91 0.00 2.85 2.90 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 17 D 7.97 4.73 0.00 2.78 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 T 8.61 3.92 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 1.24 0.00 0.00 19 D 8.12 4.38 0.00 2.88 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.73 4.13 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 21 R 8.50 3.89 0.00 2.08 2.21 0.00 3.20 0.00 0.00 3.52 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 22 E 8.51 4.01 0.00 2.13 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 2.37 2.62 0.00 23 W 8.29 4.24 0.00 3.47 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 3.42 0.00 1.91 1.59 1.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.21 4.06 0.00 3.98 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 26 T 7.86 3.80 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 1.21 0.00 0.00 27 I 7.33 3.68 1.68 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.42 0.64 0.00 0.00 28 I 7.54 3.77 1.89 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.72 0.91 0.00 0.00 29 S 8.10 5.08 0.00 3.91 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 30 N 7.63 4.36 0.00 3.00 2.75 0.00 0.00 6.86 9.28 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 31 H 7.60 4.46 0.00 2.85 2.88 0.00 5.79 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.58 4.66 0.00 3.08 2.93 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 33 P 0.00 4.12 0.00 1.99 2.04 0.00 3.69 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 1.97 2.03 0.00 34 E 7.81 3.83 0.00 1.93 1.91 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 2.40 2.34 0.00 35 V 6.90 4.78 1.88 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 0.80 0.00 0.00 0.93 0.00 0.00 36 W 9.35 5.22 0.00 3.39 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 37 S 8.81 5.35 0.00 3.85 3.81 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 38 A 9.03 5.68 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 39 G 9.31 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 0.00 0.00 0.00 0.00 40 D 7.68 5.16 0.00 3.15 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 41 G 7.95 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 42 E 8.25 3.91 0.00 2.05 2.23 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 2.39 2.38 0.00 43 E 9.22 4.06 0.00 2.13 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 0.00 2.34 2.36 0.00 44 G 8.26 3.63 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 0.00 0.00 0.00 45 E 8.86 3.99 0.00 1.98 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 2.32 2.34 0.00 46 R 8.00 3.86 0.00 2.04 2.09 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 47 L 8.14 3.95 0.00 1.76 1.65 1.03 0.84 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 48 F 8.44 4.03 0.00 3.25 3.18 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 49 G 7.93 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.40 3.95 0.00 1.10 1.24 0.79 0.85 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 51 H 7.39 4.34 0.00 2.08 2.11 0.00 5.80 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.06 2.73 0.96 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 0.00 0.00 53 P 0.00 4.53 0.00 2.53 2.15 0.00 2.52 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.09 0.00 54 D 8.97 4.58 0.00 2.66 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 55 V 7.80 4.83 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 1.04 0.00 0.00 0.78 0.00 0.00 56 I 9.11 4.95 1.82 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.60 0.90 0.00 0.00 57 I 9.11 4.90 1.88 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 0.63 0.92 0.00 0.00 58 T 9.12 5.12 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 1.19 0.00 0.00 59 D 8.74 4.75 0.00 3.08 2.54 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 0.00 0.00 0.00 0.00 60 I 8.32 4.33 1.95 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.58 1.15 0.00 0.00 61 R 7.71 4.30 0.00 1.85 1.90 0.00 3.47 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 *63 P 0.00 4.12 0.00 2.22 2.02 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 2.03 2.13 0.00 64 K 9.08 4.04 0.00 1.92 1.96 0.00 2.07 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.42 7.81 65 L 7.29 4.44 0.00 1.67 1.55 0.92 1.01 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 66 G 8.16 4.37 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 0.00 0.00 0.00 67 G 8.66 3.59 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 0.00 0.00 0.00 68 L 8.06 4.15 0.00 1.76 1.76 1.09 1.11 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 69 E 7.68 4.28 0.00 2.06 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 0.00 2.34 2.33 0.00 *71 L 8.00 4.10 0.00 1.81 1.66 0.88 0.82 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 72 D 8.25 4.26 0.00 2.76 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 73 R 7.67 3.94 0.00 1.81 2.06 0.00 3.20 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 74 I 7.47 3.73 1.66 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.35 0.08 0.00 0.00 75 K 8.24 4.04 0.00 1.71 1.80 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.53 7.81 76 A 7.83 4.31 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 77 G 7.76 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 78 G 8.32 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 0.00 0.00 0.00 79 A 7.51 4.36 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 80 K 8.02 4.51 0.00 1.59 1.59 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.51 7.81 81 P 0.00 4.52 0.00 2.12 2.26 0.00 3.64 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 1.84 1.78 0.00 82 Y 8.63 3.95 0.00 2.12 1.43 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 83 V 8.83 4.77 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 0.83 0.00 0.00 0.90 0.00 0.00 84 I 9.01 4.88 1.89 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.64 0.93 0.00 0.00 85 V 8.32 4.66 1.78 0.00 0.00 0.00 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 0.80 0.00 0.00 86 I 8.36 5.40 1.92 0.00 0.00 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 1.23 0.99 0.94 0.00 0.00 87 S 8.07 4.80 0.00 3.94 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.38 4.32 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 89 F 8.66 5.06 0.00 3.05 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 90 S 8.68 4.59 0.00 3.63 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.80 4.16 0.00 1.89 1.88 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 2.31 1.87 0.00 *93 K 8.52 4.29 0.00 1.70 1.89 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 *94 Y 7.27 3.94 0.00 2.31 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 0.00 0.00 0.00 0.00 95 F 7.60 4.63 0.00 3.02 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 96 I 7.73 3.47 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.56 0.91 0.00 0.00 97 K 8.05 4.11 0.00 2.08 1.90 0.00 1.47 0.00 0.00 1.74 0.00 0.00 3.25 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.48 7.81 98 A 8.06 4.04 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.52 3.82 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 1.19 0.49 0.48 0.00 0.00 100 E 7.69 4.00 0.00 2.27 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 2.29 2.31 0.00 101 L 7.85 4.30 0.00 1.77 1.67 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 102 G 7.89 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 0.00 103 V 7.57 4.23 1.70 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 0.28 0.00 0.00 0.79 0.00 0.00 104 H 8.67 4.86 0.00 3.36 3.61 0.00 5.75 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.17 4.44 0.00 1.78 1.51 0.99 0.96 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 0.00 106 F 9.18 5.02 0.00 3.05 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 0.00 107 L 8.99 4.89 0.00 1.72 1.56 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.66 0.00 2.12 2.05 0.00 3.91 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 109 K 8.55 4.45 0.00 1.80 1.63 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 0.99 7.81 110 P 0.00 4.42 0.00 2.11 2.02 0.00 3.72 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 1.98 1.96 0.00 111 I 8.30 4.05 2.39 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.69 1.06 0.00 0.00 112 E 8.75 4.49 0.00 2.19 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 0.00 2.37 2.33 0.00 113 P 0.00 4.13 0.00 2.32 2.54 0.00 3.84 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 114 G 8.41 3.56 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 0.00 0.00 0.00 115 R 8.34 4.84 0.00 1.74 1.95 0.00 3.27 0.00 0.00 3.19 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.40 0.00 116 L 7.53 3.87 0.00 1.82 1.79 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 *118 E 8.22 4.25 0.00 2.03 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 2.27 2.62 0.00 119 T 7.75 3.49 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 0.62 0.00 0.00 120 L 7.72 3.96 0.00 1.56 1.03 0.62 0.88 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 0.00 121 E 8.15 4.08 0.00 2.13 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 0.00 2.48 2.35 0.00 122 D 7.71 4.29 0.00 2.53 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 0.00 123 F 7.59 4.21 0.00 3.10 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 0.00 124 R 8.20 4.08 0.00 2.18 2.37 0.00 3.19 0.00 0.00 3.43 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.67 0.00 125 H 8.41 4.23 0.00 3.38 3.38 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 0.00 126 I 7.92 3.74 2.13 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.24 1.09 0.00 0.00 127 K 8.30 3.98 0.00 1.95 2.04 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.57 7.81 128 L 8.95 4.37 0.00 1.92 1.74 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.89 4.03 1.43 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 0.00 130 K 8.13 4.39 0.00 1.97 1.93 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.20 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.62 1.50 7.81 131 E 8.42 4.58 0.00 2.06 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 0.00 2.39 2.41 0.00 * Residues marked with a * may have inaccurate shift predictions.