NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4818 8.3049 120.3305 55.4764 33.2890 174.3709 2 M 4.4990 8.5856 123.4443 52.8977 34.4648 170.0964 3 V 4.3981 8.3022 122.0504 60.7597 34.3901 174.0847 4 W 4.6041 8.9488 135.0000 57.3770 31.1821 175.4437 5 T 4.0356 8.0689 123.5890 61.2919 67.2619 172.5140 6 P 4.5466 0.0000 0.0000 63.4905 32.2158 175.8874 7 V 4.2935 7.2215 118.1142 60.9402 33.8425 174.9294 8 N 4.6722 8.4376 122.8128 52.5718 37.8847 174.7530 9 N 5.0683 8.2037 125.2845 52.7008 39.7581 174.7312 10 K 4.0847 8.3938 116.4397 56.5989 32.7544 176.8055 11 M 4.9632 8.3426 121.6897 54.1458 34.9800 175.6655 12 F 4.5900 8.6556 117.0447 57.0638 41.1610 176.3118 13 E 3.4917 8.4613 121.9195 57.1665 27.9038 175.2702 14 T 3.8848 8.3504 121.6875 66.4500 68.9690 174.2724 15 F 4.4952 9.0485 123.9041 57.6942 36.5735 176.2536 16 S 4.5226 8.2662 114.7182 60.0619 63.1040 174.4046 17 Y 4.4091 8.2361 117.5725 58.1594 38.1986 175.1890 18 L 4.6604 7.6298 120.2504 52.3138 43.4335 174.6120 19 P 4.4681 0.0000 0.0000 61.8432 31.8039 174.9754 20 P 4.2868 0.0000 0.0000 62.8941 31.7486 176.4884 21 L 4.0148 8.3114 122.8285 54.6811 42.2244 177.9057 22 T 4.2205 8.1852 113.8112 61.2211 71.0264 175.3400 23 D 4.3301 8.5315 121.0248 57.5536 40.8066 178.7133 24 E 3.9116 8.1036 119.2988 59.3745 29.8188 178.7938 25 Q 3.9225 7.9933 118.1692 58.7734 28.7241 178.6862 26 I 3.7165 8.0359 120.8896 64.4028 37.1290 178.2043 27 A 4.0354 8.3026 121.5821 55.2824 18.2064 179.5203 28 A 3.9595 8.1494 119.1250 55.4308 18.4835 179.9394 29 Q 4.0965 7.9926 116.3082 59.0884 28.7753 179.0845 30 V 3.7606 8.2031 119.4253 66.0777 31.5950 177.6820 31 D 4.4130 8.5156 119.0155 57.6229 40.5491 178.2069 32 Y 4.1597 8.1355 119.7741 60.7108 38.7937 178.0747 33 I 3.8826 7.9173 120.5334 64.6480 37.3429 178.6137 34 V 3.5049 7.8254 118.5787 65.9583 31.1746 177.7354 35 A 3.9079 8.2160 119.6573 54.8059 18.2306 178.3958 36 N 4.0971 7.1118 111.8047 52.1484 38.7269 175.8020 37 G 3.7514 7.3611 108.2928 46.0246 0.0000 174.0558 38 W 4.9361 7.4367 118.9076 56.0763 30.6603 176.3253 39 I 4.3665 8.9090 123.1746 59.5235 37.7500 174.0952 40 P 4.8914 0.0000 0.0000 62.9839 32.7213 175.2033 41 C 4.9847 8.8423 121.1813 58.4472 35.5732 172.4630 42 L 5.3307 8.7395 123.8303 53.2402 44.4566 175.1991 43 E 5.6324 9.2727 120.9194 54.9974 34.2419 174.5093 44 F 5.6032 9.1313 116.2000 56.0180 42.1123 172.9350 45 A 4.5153 8.2348 119.8680 50.2712 22.5876 176.2953 46 E 4.2841 8.6134 118.8224 55.7042 30.7199 177.6546 47 A 4.2757 8.8502 122.9255 55.8577 18.4361 179.8570 48 D 4.4960 8.1573 113.5631 56.4576 41.0612 177.2221 49 K 4.6165 7.9864 117.2423 56.0510 32.5725 176.9242 50 A 3.8857 7.6979 124.7220 54.0323 18.7786 178.3541 51 Y 4.6897 7.5097 111.5995 55.4256 40.2734 175.9524 52 V 3.8182 8.4035 122.2449 62.7007 31.5730 175.4561 53 S 4.7474 8.9192 116.7671 57.4412 66.3652 173.7764 54 N 5.2697 8.5554 114.1471 52.6773 39.5151 176.4084 55 E 3.9844 8.3068 119.5632 59.7368 29.4473 179.1759 56 S 3.9501 8.8289 115.6791 60.7435 62.8325 176.1072 57 A 2.5800 7.5807 123.2888 53.7089 17.7334 179.0695 58 I 3.5820 6.9595 116.8199 63.7004 38.0168 177.0946 59 R 4.2757 7.5215 116.4008 55.6016 30.5322 176.1426 60 F 5.1332 7.1532 118.1165 55.7939 41.4901 177.5533 61 G 4.0552 8.2528 117.2415 46.2850 0.0000 175.4264 62 S 4.6169 8.4462 113.8914 58.8880 62.4107 174.5248 63 V 4.4293 7.3243 107.5049 61.1742 33.0705 177.5465 64 S 4.5040 8.1997 114.6633 59.3435 63.5468 173.3711 65 C 3.9614 8.0797 119.0800 61.6108 27.9415 173.1836 66 L 3.5835 8.4370 122.9758 55.5825 38.9580 173.1669 67 Y 4.3237 7.7323 119.8191 55.9818 39.8634 174.6209 68 Y 4.8580 7.1223 123.3288 56.2679 42.3407 174.7560 69 D 4.4958 8.8845 123.4080 55.4378 41.6697 176.9455 70 N 4.4562 8.9065 116.6418 54.1804 35.9664 176.0678 71 R 3.9386 7.9714 118.6010 59.3523 30.3725 177.1289 72 Y 4.3812 7.6934 114.4871 57.8983 38.4059 175.1104 73 W 5.0956 8.6579 124.0062 55.3760 32.7107 174.4918 74 T 4.3055 8.2228 117.1809 62.7004 69.5401 174.5429 75 M 4.6301 8.4931 126.4058 55.2525 33.1681 175.1830 76 W 4.8092 9.5229 135.0000 56.3503 31.3621 176.9126 77 K 3.3942 8.4952 128.5818 57.5428 30.9213 177.8819 78 L 4.9285 8.2464 124.5006 52.6469 45.0925 174.0181 79 P 4.3275 0.0000 0.0000 63.5043 32.2178 177.5864 80 M 4.2992 8.7369 123.5043 53.5745 30.4516 175.6559 81 F 4.4556 7.3354 118.3694 58.9907 39.9825 176.5435 82 G 3.9955 9.1331 112.8763 45.4353 0.0000 173.0341 83 C 4.2644 7.9075 120.8647 59.7396 31.7293 173.1849 84 R 4.5621 8.6379 124.3143 55.5363 31.3866 174.5090 85 D 4.7802 7.8065 118.0381 51.3553 42.8561 174.2834 86 P 4.3310 0.0000 0.0000 66.0627 31.2279 178.4758 87 M 4.1145 8.2837 117.4329 58.3155 31.7808 178.5301 88 Q 3.9660 8.1552 119.4039 59.0826 29.2007 178.5667 89 V 3.5924 7.7452 118.7054 66.0710 31.7504 177.7395 90 L 4.0034 7.9722 118.6886 58.0294 41.4271 179.8261 91 R 3.9734 8.3566 118.1819 59.2848 29.9295 179.0184 92 E 4.1137 8.3329 118.5319 59.2385 29.4394 179.2865 93 I 3.5028 7.8695 120.0319 64.2937 37.2022 178.4530 94 V 3.4668 7.6302 118.5478 66.0129 31.3727 177.9161 95 A 3.9423 8.0297 120.4162 55.1295 18.2203 179.1248 96 C 2.0000 7.6503 117.6650 62.1005 31.2589 175.9799 97 T 3.6838 7.5195 111.2440 64.4169 67.9104 176.2877 98 K 3.8087 7.6940 121.5862 59.3562 32.3437 178.4637 99 A 3.9544 7.6107 119.7221 53.5988 19.8815 177.6557 100 F 4.7209 7.7770 115.3919 55.0865 39.1482 174.0371 101 P 4.4117 0.0000 0.0000 64.3906 31.8355 177.8627 102 D 4.6112 8.0235 116.2819 53.9338 41.3529 175.7518 103 A 4.6709 7.4008 121.0231 50.8055 20.7408 177.0553 104 Y 4.1954 8.6432 117.8955 57.8755 39.4292 175.2886 105 V 5.2637 8.9272 123.1089 61.1611 35.2610 174.2892 106 R 4.9746 9.4698 123.6835 54.2707 33.1488 173.7362 107 L 4.8056 8.0433 123.3251 53.8894 43.9291 175.7017 108 V 4.7647 8.6301 118.2891 59.5174 36.4488 174.0894 109 A 4.9296 8.0560 121.3296 50.5335 22.8136 175.2176 110 F 5.2358 9.0134 119.5338 55.7590 42.5135 174.2253 111 D 5.3856 8.8449 122.5984 52.7072 42.3624 176.6473 112 N 4.7193 9.1720 123.1834 54.4082 38.3646 176.4225 113 Q 4.1778 8.4120 118.0537 58.9751 29.0864 177.3914 114 K 4.0341 8.6103 115.0498 56.9194 32.8942 176.7127 115 Q 3.4128 8.0698 118.6365 55.9675 27.0674 172.7323 116 V 4.5242 7.8080 117.4438 60.0249 35.0520 174.2455 117 Q 4.3272 8.7454 123.1845 56.5671 29.3272 175.5791 118 I 4.2717 8.1518 124.3847 61.0706 39.9767 174.3652 119 M 4.6192 6.7681 117.4688 54.3938 34.4897 173.6822 120 G 4.7998 8.2633 106.2657 47.2131 0.0000 172.3461 121 F 5.0240 7.1212 115.6556 55.3033 41.1119 172.7872 122 L 4.5313 8.8059 122.7865 55.5306 41.9560 176.7605 123 V 4.4717 8.8892 118.4176 61.5534 34.1905 175.7896 124 Q 4.5670 7.7875 121.0750 54.2723 32.4733 173.4692 125 R 4.2799 8.0825 121.5857 52.8598 32.7169 173.4551 126 P 4.1403 0.0000 0.0000 62.8152 31.5563 177.5087 127 K 4.1550 8.4819 120.3241 59.2806 32.7537 178.0858 128 S 4.2580 7.9885 112.9077 59.7021 63.4604 174.3154 129 A 4.3216 7.8166 125.8924 52.6490 18.3887 177.2775 130 R 4.6907 8.7354 118.2912 55.9596 30.5218 175.0734 131 D 4.9277 8.6236 116.1943 53.1994 39.6941 175.3316 132 W 5.5891 7.7243 114.9520 55.3314 31.3731 173.9424 133 Q 4.2995 8.4287 117.4539 52.8692 31.3023 174.1851 134 P 4.4967 0.0000 0.0000 62.3707 31.8596 176.9316 135 A 3.9788 8.9306 123.0147 55.6398 18.1463 179.0623 136 N 4.7395 8.0562 109.0709 53.3574 37.7050 175.4002 137 K 4.4441 7.7496 116.9513 56.3898 33.1037 177.3707 138 R 3.5756 7.5950 119.8557 57.8081 30.1268 176.5995 139 S 5.0429 7.4237 110.2087 56.3628 66.1515 174.2440 140 V 3.9886 8.5258 114.2741 61.7745 32.3056 175.5932 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 4.48 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 2 M 8.59 4.50 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 3 V 8.30 4.40 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 1.11 0.00 0.00 0.97 0.00 0.00 4 W 8.95 4.60 0.00 3.48 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 5 T 8.07 4.04 4.08 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 1.12 0.00 0.00 6 P 0.00 4.55 0.00 2.23 2.20 0.00 3.74 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 1.96 1.96 0.00 7 V 7.22 4.29 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 0.79 0.00 0.00 0.91 0.00 0.00 8 N 8.44 4.67 0.00 2.72 2.82 0.00 0.00 6.65 8.00 0.00 0.00 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 N 8.20 5.07 0.00 2.68 2.69 0.00 0.00 7.26 6.68 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 10 K 8.39 4.08 0.00 1.98 1.57 0.00 0.61 0.00 0.00 1.24 0.00 0.00 2.41 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.33 1.44 7.81 11 M 8.34 4.96 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.66 0.00 12 F 8.66 4.59 0.00 3.10 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 13 E 8.46 3.49 0.00 2.13 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 2.21 2.14 0.00 14 T 8.35 3.88 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 0.22 0.00 0.00 15 F 9.05 4.50 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 16 S 8.27 4.52 0.00 4.15 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 17 Y 8.24 4.41 0.00 3.04 3.19 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 18 L 7.63 4.66 0.00 1.81 1.61 0.81 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.47 0.00 2.04 2.02 0.00 3.71 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 2.04 2.15 0.00 20 P 0.00 4.29 0.00 2.06 2.02 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 21 L 8.31 4.01 0.00 1.59 1.49 0.35 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.19 4.22 4.22 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 1.19 0.00 0.00 23 D 8.53 4.33 0.00 2.70 2.76 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 0.00 0.00 0.00 24 E 8.10 3.91 0.00 2.02 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 2.35 2.39 0.00 25 Q 7.99 3.92 0.00 2.28 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 26 I 8.04 3.72 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.81 1.08 0.00 0.00 27 A 8.30 4.04 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 28 A 8.15 3.96 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 29 Q 7.99 4.10 0.00 2.51 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.33 1.88 0.00 30 V 8.20 3.76 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 1.10 0.00 0.00 1.09 0.00 0.00 31 D 8.52 4.41 0.00 2.97 2.76 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 0.00 0.00 0.00 32 Y 8.14 4.16 0.00 3.21 3.34 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 33 I 7.92 3.88 2.16 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 1.70 0.95 1.09 0.00 0.00 34 V 7.83 3.50 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 0.99 0.00 0.00 0.96 0.00 0.00 35 A 8.22 3.91 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 36 N 7.11 4.10 0.00 1.44 1.42 0.00 0.00 7.05 8.88 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 37 G 7.36 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 38 W 7.44 4.94 0.00 3.37 3.10 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 39 I 8.91 4.37 2.11 0.00 0.00 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 1.47 0.94 0.70 0.00 0.00 40 P 0.00 4.89 0.00 2.09 1.99 0.00 3.80 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 41 C 8.84 4.98 0.00 3.09 2.69 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 42 L 8.74 5.33 0.00 1.87 1.63 0.86 0.83 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 43 E 9.27 5.63 0.00 2.04 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 2.37 2.33 0.00 44 F 9.13 5.60 0.00 3.05 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 45 A 8.23 4.52 -0.23 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 0.00 0.00 46 E 8.61 4.28 0.00 2.18 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 0.00 2.30 2.28 0.00 47 A 8.85 4.28 1.52 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 0.00 0.00 48 D 8.16 4.50 0.00 2.70 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 49 K 7.99 4.62 0.00 1.50 1.69 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.43 7.81 50 A 7.70 3.89 0.58 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 51 Y 7.51 4.69 0.00 2.91 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 52 V 8.40 3.82 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 0.56 0.00 0.00 0.77 0.00 0.00 53 S 8.92 4.75 0.00 4.05 4.04 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 54 N 8.56 5.27 0.00 2.77 2.85 0.00 0.00 6.58 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 55 E 8.31 3.98 0.00 2.15 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 2.38 2.37 0.00 56 S 8.83 3.95 0.00 4.00 3.69 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 57 A 7.58 2.58 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 58 I 6.96 3.58 1.78 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 1.47 0.81 0.83 0.00 0.00 59 R 7.52 4.28 0.00 1.83 1.98 0.00 3.18 0.00 0.00 3.19 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 60 F 7.15 5.13 0.00 3.04 2.78 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 61 G 8.25 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 0.00 0.00 0.00 62 S 8.45 4.62 0.00 3.86 3.86 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 63 V 7.32 4.43 1.82 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 0.66 0.00 0.00 0.47 0.00 0.00 64 S 8.20 4.50 0.00 4.15 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 0.00 65 C 8.08 3.96 0.00 2.96 2.95 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 66 L 8.44 3.58 0.00 1.78 1.76 0.94 0.98 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 7.73 4.32 0.00 2.95 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 68 Y 7.12 4.86 0.00 2.79 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 69 D 8.88 4.50 0.00 2.79 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 70 N 8.91 4.46 0.00 3.06 3.25 0.00 0.00 6.99 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 71 R 7.97 3.94 0.00 1.53 1.69 0.00 3.09 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 72 Y 7.69 4.38 0.00 3.05 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 73 W 8.66 5.10 0.00 3.08 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 74 T 8.22 4.31 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 0.91 0.00 0.00 75 M 8.49 4.63 0.00 2.08 2.03 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 2.70 2.78 0.00 76 W 9.52 4.81 0.00 3.68 3.29 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 77 K 8.50 3.39 0.00 1.64 0.75 0.00 1.68 0.00 0.00 1.53 0.00 0.00 2.72 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.83 0.21 7.81 78 L 8.25 4.93 0.00 1.60 1.58 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.33 0.00 0.63 1.83 0.00 3.66 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 1.96 2.14 0.00 80 M 8.74 4.30 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 81 F 7.34 4.46 0.00 3.11 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 82 G 9.13 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.91 4.26 0.00 3.04 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 84 R 8.64 4.56 0.00 1.80 1.86 0.00 3.22 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.73 0.00 85 D 7.81 4.78 0.00 2.72 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.33 0.00 2.22 2.13 0.00 3.67 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 87 M 8.28 4.11 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.71 0.00 88 Q 8.16 3.97 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 89 V 7.75 3.59 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 1.04 0.00 0.00 0.97 0.00 0.00 90 L 7.97 4.00 0.00 1.91 1.72 0.94 0.84 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 91 R 8.36 3.97 0.00 2.02 2.01 0.00 3.15 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 92 E 8.33 4.11 0.00 2.23 2.17 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 2.61 2.67 0.00 93 I 7.87 3.50 1.98 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 0.78 0.83 0.00 0.00 94 V 7.63 3.47 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 0.97 0.00 0.00 0.94 0.00 0.00 95 A 8.03 3.94 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.65 2.00 0.00 1.23 2.34 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 97 T 7.52 3.68 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 1.09 0.00 0.00 98 K 7.69 3.81 0.00 1.84 1.92 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.39 7.81 99 A 7.61 3.95 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 0.00 100 F 7.78 4.72 0.00 2.89 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 0.00 101 P 0.00 4.41 0.00 2.12 2.11 0.00 3.29 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 102 D 8.02 4.61 0.00 2.70 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 0.00 103 A 7.40 4.67 1.34 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 0.00 104 Y 8.64 4.20 0.00 2.52 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 0.00 105 V 8.93 5.26 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 0.92 0.00 0.00 0.86 0.00 0.00 106 R 9.47 4.97 0.00 1.83 1.90 0.00 2.35 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.36 0.00 107 L 8.04 4.81 0.00 1.52 0.80 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.63 4.76 1.65 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 0.44 0.00 0.00 0.43 0.00 0.00 109 A 8.06 4.93 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 0.00 110 F 9.01 5.24 0.00 3.00 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 0.00 111 D 8.84 5.39 0.00 2.36 2.44 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 0.00 112 N 9.17 4.72 0.00 2.94 3.06 0.00 0.00 6.33 7.39 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 0.00 113 Q 8.41 4.18 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.13 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 114 K 8.61 4.03 0.00 1.74 1.86 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.41 7.81 115 Q 8.07 3.41 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 116 V 7.81 4.52 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 0.50 0.00 0.00 0.91 0.00 0.00 117 Q 8.75 4.33 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.86 0.00 0.00 0.00 0.00 0.00 2.19 1.90 0.00 118 I 8.15 4.27 1.25 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.39 -0.56 0.00 0.00 119 M 6.77 4.62 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.81 0.00 120 G 8.26 4.80 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 0.00 0.00 0.00 121 F 7.12 5.02 0.00 3.22 3.29 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 0.00 122 L 8.81 4.53 0.00 1.54 1.57 0.68 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.89 4.47 2.06 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 0.63 0.00 0.00 0.89 0.00 0.00 124 Q 7.79 4.57 0.00 1.96 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.83 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 125 R 8.08 4.28 0.00 1.08 1.41 0.00 2.21 0.00 0.00 2.69 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.22 0.00 126 P 0.00 4.14 0.00 2.12 2.29 0.00 2.20 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 127 K 8.48 4.15 0.00 1.90 1.99 0.00 1.56 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.42 7.81 128 S 7.99 4.26 0.00 4.04 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 0.00 129 A 7.82 4.32 1.55 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 0.00 130 R 8.74 4.69 0.00 1.85 1.96 0.00 3.24 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 131 D 8.62 4.93 0.00 2.94 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 0.00 132 W 7.72 5.59 0.00 3.65 3.20 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 0.00 133 Q 8.43 4.30 0.00 1.87 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.06 0.00 0.00 0.00 0.00 0.00 2.25 2.02 0.00 134 P 0.00 4.50 0.00 2.30 2.09 0.00 3.40 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.76 0.00 135 A 8.93 3.98 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 0.00 136 N 8.06 4.74 0.00 2.83 2.93 0.00 0.00 5.82 7.13 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 0.00 137 K 7.75 4.44 0.00 1.57 1.67 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.27 1.39 7.81 138 R 7.60 3.58 0.00 1.56 0.66 0.00 3.13 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.58 0.00 139 S 7.42 5.04 0.00 4.01 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 0.00 140 V 8.53 3.99 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 0.60 0.00 0.00 0.94 0.00 0.00