NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2820 8.2649 123.5843 51.4837 19.8048 176.4304 2 N 3.9973 8.7886 120.7254 53.7970 39.3072 174.5620 3 A 4.5833 8.8156 127.2885 54.8861 21.9023 178.0452 4 F 2.9958 8.2954 121.6421 58.5312 41.6732 177.1012 5 L 4.3387 8.8764 129.6121 54.1485 41.1047 176.1329 *8 L 4.3597 8.1944 123.8955 53.9428 43.6944 178.0280 9 R 4.3194 7.7836 114.7556 53.9113 30.5416 174.4988 10 P 4.2852 0.0000 0.0000 62.0956 31.8136 175.6786 11 G 3.7538 8.2628 107.0840 45.9271 0.0000 173.3546 12 S 4.3131 8.2540 120.1434 56.4369 65.1782 174.9229 13 L 4.1189 8.1005 132.7329 55.5562 39.1397 178.0439 *15 R 4.1836 7.7043 115.9306 57.4447 31.8998 176.1551 *17 C 4.9885 7.9530 112.9900 57.9602 42.0788 177.8823 18 K 4.1881 8.5749 120.2854 56.1608 30.6109 178.3403 *21 Q 4.2305 7.9465 118.1816 55.5078 28.8116 175.6246 22 C 4.3267 8.8981 123.7659 56.6029 43.7800 173.8217 23 S 4.6025 8.5438 121.9463 57.5402 63.5515 174.5507 24 F 3.4158 8.2689 123.6479 57.8485 36.6383 174.6843 *27 A 4.1877 7.7732 126.8838 52.0400 20.8662 179.4879 28 R 3.6667 7.2249 113.6148 56.9368 29.3447 178.2114 *30 I 3.7922 7.7907 118.7498 60.3842 38.7759 176.6901 31 F 4.3233 7.9023 116.3314 56.6722 38.7938 174.6581 32 K 3.9199 8.0701 121.1650 57.2813 31.4865 174.9814 33 D 4.4600 7.6645 115.2174 53.9057 42.2406 179.1170 34 A 4.9099 8.3550 132.6162 51.3338 17.5504 179.1689 *36 R 4.1992 8.0644 120.8995 57.8305 32.4830 178.7267 37 T 3.6258 7.9003 114.7502 66.7626 68.2627 175.6557 38 K 3.9335 8.6753 121.0202 59.2858 31.7091 178.7408 39 L 3.8389 7.5430 120.9139 57.7371 42.4237 179.2752 40 F 4.3181 7.7548 120.1451 61.1463 39.4105 177.2844 41 W 4.4642 9.3547 128.7397 60.3706 30.3060 177.3680 42 I 3.5790 7.9198 118.3498 64.1334 37.4227 177.0895 43 S 4.4415 7.6876 112.2893 59.4447 63.7789 175.3690 44 Y 3.7919 7.5367 122.3187 59.2181 38.4156 176.1625 45 S 4.0769 7.0629 113.2087 57.8076 63.7865 174.6974 46 D 4.2454 7.7609 121.1430 57.2459 41.7841 177.0454 47 G 3.8449 7.8467 103.3874 45.2619 0.0000 172.8619 48 D 4.6589 8.2706 120.1855 52.8004 40.3354 177.1201 49 Q 4.0954 9.1437 127.4220 58.7115 29.1086 177.1935 50 C 4.4039 8.1320 113.7973 57.1216 40.1013 175.0769 51 A 3.7839 7.6471 124.2698 54.3520 17.9614 179.0357 52 S 4.3682 7.8953 108.3216 57.5475 64.1494 174.2163 53 S 3.5892 7.5234 116.1572 59.4294 60.1927 170.3982 54 P 4.2371 0.0000 0.0000 65.2971 31.9033 178.9049 55 C 4.5797 7.9594 115.2580 56.8499 39.0720 172.6382 56 Q 4.5469 8.6656 121.2788 54.5158 31.5348 174.2741 57 N 3.8448 8.9047 113.6727 55.4677 35.4318 174.7257 58 G 3.8454 7.5431 104.5627 46.3920 0.0000 171.0480 59 G 4.1122 7.1644 102.4711 44.7372 0.0000 174.1525 60 S 4.8077 8.8365 115.2462 56.6251 65.9478 173.0688 61 C 4.9307 8.9119 125.5869 55.8843 44.4573 172.4171 62 K 4.6983 8.6260 126.7109 54.4422 34.5693 175.0788 63 D 4.9240 8.8482 126.9008 55.0670 42.3052 175.3341 64 Q 4.3724 8.0869 119.4089 55.2709 31.8773 173.8476 65 L 4.4684 8.3827 119.3276 54.8358 41.2539 176.7394 66 Q 3.6601 9.0034 121.9113 56.1271 27.0120 173.3739 67 S 4.5044 7.1218 112.6187 57.9675 65.8354 172.4066 68 Y 5.4799 7.3931 117.9530 55.6439 41.5085 175.1325 69 I 4.4608 8.7905 119.1825 60.0552 40.4870 174.1123 70 C 4.8186 8.9332 125.0916 56.8063 42.4829 173.4031 71 F 4.5433 9.2164 122.7790 56.0253 40.3345 174.3467 72 C 4.9818 8.6917 121.7001 55.8275 35.8397 174.2310 73 L 4.3728 8.5996 121.9567 54.0888 42.1920 176.3970 74 P 4.1679 0.0000 0.0000 66.1425 31.4003 177.6735 75 A 4.3548 8.1390 119.0843 52.1359 18.4015 176.4335 76 F 5.1193 7.8462 116.2013 57.6986 43.2705 173.3991 77 E 4.5591 9.1614 119.1543 55.6301 32.6723 174.1844 78 G 4.4051 8.7644 104.5680 44.8527 0.0000 174.7769 79 R 3.8975 8.6706 119.4886 58.8629 30.1053 177.2562 80 N 4.9812 8.1641 113.3905 52.9852 39.2605 175.8558 81 C 4.4585 8.2281 112.6310 57.6243 34.1352 174.3709 82 E 3.8840 8.0549 119.8473 59.0908 29.5247 176.7924 83 T 4.3227 8.0142 117.7605 62.9615 69.1656 173.2418 84 H 4.5869 8.7677 124.1876 54.0163 29.5243 176.4743 85 K 3.9585 8.4891 125.4523 59.3815 32.0244 178.7604 86 D 4.5075 7.8072 116.4824 55.8218 40.9651 176.2629 87 D 4.9840 7.6414 118.9139 54.3536 41.3439 176.5518 88 Q 4.5503 7.5970 114.6998 55.5106 30.2767 177.3193 89 L 4.3155 7.7977 121.4761 54.6330 39.8776 175.1697 90 I 4.6103 7.1673 115.5454 58.5029 40.8820 178.1123 91 C 4.5403 8.5783 117.4005 59.1196 40.1170 175.5603 92 V 3.3802 7.7117 118.0991 64.1640 31.4685 175.1324 93 N 4.5966 7.9584 118.8255 52.6305 38.3398 174.1805 94 E 3.7521 9.2678 129.1351 57.7213 27.6021 174.5829 95 N 4.5054 8.3272 109.4777 56.7279 37.6648 173.7659 96 G 4.1616 8.8821 100.1132 46.0248 0.0000 175.3666 97 G 3.9954 7.9225 109.2489 45.1523 0.0000 174.5528 98 C 4.5825 8.0200 117.4796 56.9559 40.8218 173.5260 99 E 4.0303 8.8377 124.7056 58.3006 30.2774 176.7405 100 Q 4.1017 7.9819 113.6359 55.6007 30.6691 176.1045 101 Y 5.0863 5.9851 119.8074 57.3218 41.3463 174.7948 102 C 5.5091 8.8151 121.6671 55.0044 42.9992 173.1714 103 S 4.7916 9.0034 121.3828 56.6551 66.0532 173.7767 104 D 4.7877 8.7143 124.1957 54.5525 42.0882 176.5081 105 H 4.6260 8.6987 114.6430 57.6885 30.0862 173.6894 106 T 3.9099 7.3272 118.3666 66.9776 66.0791 172.1915 107 G 3.4103 7.9867 116.5065 45.3470 0.0000 171.3309 108 T 4.3567 7.3304 116.1621 62.5171 73.0068 172.7305 109 K 4.2039 8.3885 123.9956 55.8052 32.8093 176.5032 110 R 4.3374 8.4580 121.6271 57.0291 30.1038 175.6631 111 S 4.9155 9.3904 115.7829 57.0376 66.6510 172.3062 112 C 5.3733 8.7930 119.9754 55.5222 42.8252 173.3067 113 R 4.7963 9.0939 121.9753 54.6532 33.8944 173.4095 114 C 5.3630 8.5680 116.2764 55.4535 44.3512 173.5116 115 H 4.7750 8.8816 119.4277 54.6613 30.5453 173.9304 116 E 4.0685 8.4349 124.5068 57.7007 29.7232 176.1499 117 G 3.6178 8.6244 114.3971 45.4027 0.0000 172.0510 118 Y 5.4104 8.0255 116.6032 56.1499 41.9556 174.7208 119 S 4.8098 9.4672 114.1438 56.4983 67.0031 173.1601 120 L 4.4921 8.4590 123.3422 55.1955 43.0033 177.4702 121 L 4.3537 9.1756 126.6251 54.1149 43.6048 177.0420 122 A 4.1170 8.6237 121.4658 56.0026 18.4026 179.1940 123 D 4.3258 7.9731 114.0251 54.7927 39.6363 177.5419 124 G 3.9936 8.1363 106.0706 45.4146 0.0000 174.0113 125 V 4.4828 7.7467 110.6245 60.2509 34.8794 175.1828 126 S 5.0075 8.5353 116.6189 56.7665 65.7527 172.4719 127 C 5.5129 8.7739 120.4705 55.7067 40.5960 173.3277 128 T 4.8903 9.2593 117.3509 59.3898 70.6272 171.3400 129 P 4.7932 0.0000 0.0000 63.5875 31.5621 175.6774 130 T 4.3774 8.8910 113.5076 63.3192 70.5641 175.5454 131 V 4.0064 7.4436 113.7190 59.7346 33.0251 176.0659 132 E 3.9279 8.7656 121.1991 59.3339 29.5459 177.0257 133 Y 4.2812 7.5386 118.2493 55.3187 37.3429 173.7052 134 P 4.3544 0.0000 0.0000 61.6380 32.3274 176.3286 135 C 4.2821 8.3195 114.9496 59.2458 30.3055 174.5150 136 G 4.0399 8.8641 108.2882 45.8704 0.0000 173.3553 137 K 4.4155 7.5230 118.4806 54.2090 34.3351 176.4489 138 I 4.0681 8.2377 125.6972 59.9830 36.1854 174.9141 139 P 4.2974 0.0000 0.0000 65.3096 31.4071 179.0203 140 I 3.7856 7.6736 109.6306 62.7212 38.1035 177.2601 141 L 4.1178 7.7907 121.4096 57.7042 41.7154 176.7398 142 E 4.1350 7.4808 119.5349 56.5137 29.4924 176.3980 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 A 8.26 4.28 1.31 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 0.00 0.00 2 N 8.79 4.00 0.00 2.81 2.80 0.00 0.00 6.86 6.46 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 3 A 8.82 4.58 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 4 F 8.30 3.00 0.00 3.15 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 5 L 8.88 4.34 0.00 1.67 1.67 1.09 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 *8 L 8.19 4.36 0.00 1.66 1.78 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.78 4.32 0.00 1.90 1.92 0.00 3.04 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 10 P 0.00 4.29 0.00 2.15 2.08 0.00 3.79 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 1.95 1.94 0.00 11 G 8.26 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 12 S 8.25 4.31 0.00 3.73 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 13 L 8.10 4.12 0.00 1.73 1.62 0.59 0.22 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 *15 R 7.70 4.18 0.00 1.81 2.27 0.00 3.27 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 *17 C 7.95 4.99 0.00 3.20 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 18 K 8.57 4.19 0.00 1.77 1.93 0.00 1.89 0.00 0.00 1.84 0.00 0.00 3.24 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.68 1.62 7.81 *21 Q 7.95 4.23 0.00 2.19 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 22 C 8.90 4.33 0.00 2.98 3.31 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 23 S 8.54 4.60 0.00 3.96 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 24 F 8.27 3.42 0.00 2.68 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 *27 A 7.77 4.19 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 28 R 7.22 3.67 0.00 1.12 1.42 0.00 2.91 0.00 0.00 2.92 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.43 0.00 *30 I 7.79 3.79 1.51 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.48 0.21 0.00 0.00 31 F 7.90 4.32 0.00 3.09 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 32 K 8.07 3.92 0.00 1.89 1.83 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.31 7.81 33 D 7.66 4.46 0.00 2.74 2.58 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 34 A 8.35 4.91 1.37 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 *36 R 8.06 4.20 0.00 2.16 2.10 0.00 3.38 0.00 0.00 3.42 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 37 T 7.90 3.63 4.49 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 1.19 0.00 0.00 38 K 8.68 3.93 0.00 1.89 1.75 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.55 7.81 39 L 7.54 3.84 0.00 1.62 1.73 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 40 F 7.75 4.32 0.00 2.75 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 41 W 9.35 4.46 0.00 3.78 3.28 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 0.00 42 I 7.92 3.58 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.78 0.93 0.00 0.00 43 S 7.69 4.44 0.00 3.77 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 44 Y 7.54 3.79 0.00 2.08 2.49 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 45 S 7.06 4.08 0.00 3.28 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 46 D 7.76 4.25 0.00 2.79 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.85 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 48 D 8.27 4.66 0.00 2.71 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 49 Q 9.14 4.10 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 7.03 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 50 C 8.13 4.40 0.00 2.95 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 51 A 7.65 3.78 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 52 S 7.90 4.37 0.00 3.89 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 53 S 7.52 3.59 0.00 3.95 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 54 P 0.00 4.24 0.00 1.42 1.69 0.00 3.34 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 0.81 1.66 0.00 55 C 7.96 4.58 0.00 2.94 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 56 Q 8.67 4.55 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.27 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 57 N 8.90 3.84 0.00 2.04 1.42 0.00 0.00 7.02 7.65 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 58 G 7.54 3.85 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 0.00 0.00 0.00 59 G 7.16 4.11 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 0.00 0.00 0.00 60 S 8.84 4.81 0.00 3.77 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 61 C 8.91 4.93 0.00 2.97 2.97 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 62 K 8.63 4.70 0.00 1.81 2.00 0.00 1.65 0.00 0.00 1.78 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.36 7.81 63 D 8.85 4.92 0.00 2.84 2.56 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 64 Q 8.09 4.37 0.00 2.22 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 65 L 8.38 4.47 0.00 1.68 1.58 0.89 1.19 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 66 Q 9.00 3.66 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 67 S 7.12 4.50 0.00 3.91 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 68 Y 7.39 5.48 0.00 2.97 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 69 I 8.79 4.46 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 1.17 0.68 0.84 0.00 0.00 70 C 8.93 4.82 0.00 3.17 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 71 F 9.22 4.54 0.00 3.15 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 72 C 8.69 4.98 0.00 2.91 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 73 L 8.60 4.37 0.00 1.71 1.71 0.85 1.09 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 74 P 0.00 4.17 0.00 2.10 2.17 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 75 A 8.14 4.35 1.09 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 0.00 0.00 76 F 7.85 5.12 0.00 3.03 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 77 E 9.16 4.56 0.00 2.11 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 2.19 2.24 0.00 78 G 8.76 4.41 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 0.00 79 R 8.67 3.90 0.00 1.77 2.01 0.00 3.19 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 80 N 8.16 4.98 0.00 2.87 3.04 0.00 0.00 7.13 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 81 C 8.23 4.46 0.00 3.33 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 82 E 8.05 3.88 0.00 2.17 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 0.00 2.42 2.33 0.00 83 T 8.01 4.32 4.44 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 1.22 0.00 0.00 84 H 8.77 4.59 0.00 3.06 2.97 0.00 5.64 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.49 3.96 0.00 1.63 1.77 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.31 7.81 86 D 7.81 4.51 0.00 2.58 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 87 D 7.64 4.98 0.00 2.55 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 88 Q 7.60 4.55 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.45 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 89 L 7.80 4.32 0.00 1.56 1.60 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.17 4.61 1.86 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 1.62 0.72 0.90 0.00 0.00 91 C 8.58 4.54 0.00 3.01 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 92 V 7.71 3.38 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 0.75 0.00 0.00 0.92 0.00 0.00 93 N 7.96 4.60 0.00 2.85 2.83 0.00 0.00 7.19 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 94 E 9.27 3.75 0.00 2.12 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 2.30 2.20 0.00 95 N 8.33 4.51 0.00 2.93 2.81 0.00 0.00 7.18 7.91 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 96 G 8.88 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 97 G 7.92 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 98 C 8.02 4.58 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 99 E 8.84 4.03 0.00 1.98 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 0.00 2.17 2.19 0.00 100 Q 7.98 4.10 0.00 1.68 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.57 0.00 0.00 0.00 0.00 0.00 1.65 1.97 0.00 101 Y 5.99 5.09 0.00 2.89 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 0.00 102 C 8.82 5.51 0.00 2.96 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 0.00 103 S 9.00 4.79 0.00 3.77 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 0.00 104 D 8.71 4.79 0.00 2.50 2.56 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 0.00 105 H 8.70 4.63 0.00 3.38 3.23 0.00 5.84 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 T 7.33 3.91 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 1.21 0.00 0.00 107 G 7.99 3.41 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 0.00 108 T 7.33 4.36 4.26 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 1.20 0.00 0.00 109 K 8.39 4.20 0.00 1.72 1.70 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.42 7.81 110 R 8.46 4.34 0.00 1.96 1.94 0.00 3.09 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 111 S 9.39 4.92 0.00 3.76 3.79 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 0.00 112 C 8.79 5.37 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 0.00 113 R 9.09 4.80 0.00 1.89 1.97 0.00 3.15 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 114 C 8.57 5.36 0.00 2.86 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 0.00 115 H 8.88 4.77 0.00 2.96 3.40 0.00 5.60 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.43 4.07 0.00 1.93 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 0.00 2.29 2.38 0.00 117 G 8.62 3.62 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 0.00 0.00 0.00 118 Y 8.03 5.41 0.00 2.76 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 0.00 119 S 9.47 4.81 0.00 3.81 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 0.00 120 L 8.46 4.49 0.00 1.68 1.62 0.96 1.08 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 0.00 121 L 9.18 4.35 0.00 1.94 1.61 0.92 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.62 4.12 1.28 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 0.00 0.00 0.00 123 D 7.97 4.33 0.00 2.77 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 0.00 124 G 8.14 3.99 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 0.00 0.00 0.00 125 V 7.75 4.48 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 0.74 0.00 0.00 1.02 0.00 0.00 126 S 8.54 5.01 0.00 3.74 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 0.00 127 C 8.77 5.51 0.00 2.74 2.86 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 0.00 128 T 9.26 4.89 4.26 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 1.24 0.00 0.00 129 P 0.00 4.79 0.00 1.95 1.86 0.00 3.76 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.35 0.00 130 T 8.89 4.38 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 1.21 0.00 0.00 131 V 7.44 4.01 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 0.64 0.00 0.00 0.83 0.00 0.00 132 E 8.77 3.93 0.00 1.96 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 1.99 2.26 0.00 133 Y 7.54 4.28 0.00 2.99 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 0.00 134 P 0.00 4.35 0.00 1.90 1.33 0.00 3.56 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.97 0.00 135 C 8.32 4.28 0.00 3.14 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 0.00 136 G 8.86 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 0.00 0.00 0.00 137 K 7.52 4.42 0.00 1.75 1.74 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.65 7.81 138 I 8.24 4.07 1.89 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 1.44 0.95 0.93 0.00 0.00 139 P 0.00 4.30 0.00 2.29 2.11 0.00 3.66 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.19 0.00 140 I 7.67 3.79 1.90 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 1.43 0.81 0.95 0.00 0.00 141 L 7.79 4.12 0.00 1.86 1.77 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 142 E 7.48 4.14 0.00 1.95 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 2.53 2.23 0.00 * Residues marked with a * may have inaccurate shift predictions.