NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4999 8.1693 120.6410 55.0166 43.1263 175.7155 8 H 4.8514 8.5126 115.2636 53.2623 31.5327 171.3724 9 K 4.6085 9.2464 122.2978 55.9587 34.1707 177.2081 10 E 4.9627 9.0108 123.0065 53.6431 33.3815 173.8504 11 P 4.9765 0.0000 0.0000 63.2729 32.3325 174.9942 12 A 4.9631 8.4678 121.9375 51.3009 23.1017 175.5545 13 T 4.6195 8.5783 115.0998 61.3045 72.2225 173.8121 14 L 4.1997 8.7435 128.6336 55.8908 42.2951 175.6748 15 I 4.3402 8.4665 126.7660 62.1416 38.8264 176.0603 16 K 4.3911 7.5332 118.8707 55.5510 35.4328 173.6129 17 A 4.5853 8.7807 130.4251 51.8123 19.5287 176.8312 18 I 4.1966 8.3523 123.1470 62.6565 39.1083 174.7261 19 D 4.6184 8.0545 117.6218 52.9826 44.2695 175.5723 20 G 3.7433 8.7614 108.5993 47.8559 0.0000 174.0399 21 D 4.8463 8.0357 116.8042 53.1166 40.5071 175.3938 22 T 5.1938 7.6749 115.7905 62.3179 72.8759 173.3464 23 V 4.9252 8.8057 117.8761 59.5786 36.7507 174.0703 24 K 4.9699 9.4523 125.9579 55.2814 33.6250 175.3483 25 L 5.2701 9.5254 126.7375 53.2017 46.6566 175.3908 26 M 4.8188 9.3814 122.0663 54.7241 33.5830 174.0877 27 Y 4.9850 9.0324 128.6380 55.9687 41.5555 175.8708 28 K 3.4392 9.5815 127.5407 57.4396 29.7195 175.8955 29 G 4.0550 8.9690 106.1408 44.9454 0.0000 173.2866 30 Q 4.8136 7.9533 117.2440 53.2766 32.3108 173.0515 31 P 4.8804 0.0000 0.0000 63.8732 32.2838 175.1365 32 M 4.7273 9.1792 120.2886 55.0219 36.4318 173.2066 33 T 4.9163 8.4420 122.1291 62.6450 70.6660 173.4931 34 F 5.0480 9.6465 125.2287 55.5702 42.1688 174.3312 35 R 4.9993 8.9856 123.6384 54.2174 32.0159 175.1435 36 L 4.3235 8.6351 127.6611 54.7789 42.2961 177.4145 37 L 3.8966 8.7311 124.6113 55.3515 42.9147 177.3780 38 L 3.6864 8.7342 119.5248 55.5311 39.5882 174.0747 39 V 4.9351 7.3441 109.3173 59.6387 35.4730 175.0470 40 D 4.9427 9.2099 124.2703 52.9451 43.3424 175.3025 41 T 4.8127 8.3241 113.6489 58.9705 71.0494 172.9392 42 P 4.3222 0.0000 0.0000 62.6016 32.2597 175.5638 43 E 4.3825 9.8247 123.6473 55.5702 30.5944 176.8691 44 T 4.3442 7.6151 112.4783 62.1184 70.2618 175.1274 45 K 4.0400 7.6980 121.4396 57.0506 32.7222 177.2823 *51 V 3.8086 7.7146 119.4410 63.7915 32.2751 174.7535 52 E 4.2638 8.8592 128.1289 55.6567 30.9301 176.5197 53 K 4.0389 8.2995 123.3976 57.9483 32.7610 176.8367 54 Y 4.3809 8.0701 122.7826 59.3883 36.0873 171.2741 55 G 3.6172 8.0778 107.9587 47.2696 0.0000 174.3254 56 P 4.3171 0.0000 0.0000 65.1064 31.4071 178.3629 57 E 4.0071 8.0984 118.0319 59.2476 29.5005 178.8127 58 A 4.0216 8.4987 121.2528 55.2193 18.3608 179.8089 59 S 4.1437 8.3061 113.4770 61.8172 62.9659 176.8591 60 A 3.9950 8.1802 123.3802 54.9794 18.0065 179.3152 61 F 3.9200 8.4190 119.1069 61.8479 39.5541 177.3438 62 T 3.8940 8.3045 115.2788 66.5190 68.2063 176.3051 63 K 3.8116 8.2839 121.5619 59.4320 32.2635 178.5096 64 K 3.7888 8.4681 119.9561 59.8182 31.9005 178.2551 65 M 3.8347 7.7229 117.1423 58.7215 32.0538 177.6095 66 N 4.4805 8.0648 116.4625 56.1852 38.6058 177.4255 67 E 3.9555 8.2396 119.2786 59.2976 29.6352 177.7556 68 N 4.5148 8.0341 113.4914 53.8056 39.0505 175.1983 69 A 5.0049 7.1890 120.9832 50.8197 19.5422 177.8581 70 K 4.2146 8.9207 120.2355 58.2437 32.9316 177.9134 71 K 4.7034 8.5567 117.7380 54.4921 36.1682 175.6470 72 I 5.0434 8.4161 124.5782 59.5810 40.4786 174.3614 73 E 5.1803 9.3101 125.0516 54.6656 33.9089 175.0082 74 V 4.7138 8.7988 115.7584 59.4984 35.3259 174.5886 75 E 4.8433 9.0743 124.6530 54.4799 32.2805 174.8953 76 F 4.6247 9.0776 125.8734 57.5269 40.2236 175.6152 77 D 4.9862 8.6056 121.1803 53.2938 43.1721 175.8728 78 K 4.4044 9.1075 117.9875 57.2848 33.4596 177.2116 79 G 4.3553 7.9252 110.0338 43.8288 0.0000 173.2850 80 Q 4.0815 8.5957 119.3995 56.6595 29.3462 176.7771 81 R 4.6085 8.5984 119.9248 56.9284 31.0189 176.1294 82 T 5.0701 7.5153 107.0239 59.8861 71.9459 173.3717 83 D 4.8527 8.6033 123.6901 51.7472 41.5641 177.1457 84 K 3.9077 8.3978 117.2037 59.8548 32.4759 177.1148 85 Y 4.2955 7.9789 115.3566 57.7109 37.8953 176.0559 86 G 3.9185 8.1929 108.0128 45.5720 0.0000 173.8262 87 R 4.3997 8.3585 119.4696 54.8965 31.8405 176.4074 88 G 3.6070 8.4973 111.1766 46.1265 0.0000 172.4257 89 L 5.2808 8.8815 124.1458 53.1470 43.1328 175.6343 90 A 4.3561 8.2845 124.5787 51.2161 23.5953 173.8250 91 Y 4.7955 8.6833 117.0979 56.8847 39.9345 175.3665 92 I 4.7985 8.7152 124.4833 59.6729 40.2764 174.0921 93 Y 5.0138 9.3108 123.6767 56.0325 41.1687 174.4951 94 A 4.8280 9.1796 125.9806 50.1149 21.7110 176.2298 95 D 4.3466 10.0178 125.3723 56.0149 38.9963 176.2352 96 G 4.0474 8.3688 105.2942 45.4289 0.0000 173.5470 97 K 4.5116 7.8796 120.4071 54.7533 33.6795 175.4746 98 M 3.9513 8.4891 123.5209 55.0916 33.1295 176.9755 99 V 3.6061 8.7785 127.3671 66.0587 31.6363 177.5840 100 N 4.2925 8.0508 115.7747 56.4599 38.4525 176.7976 101 E 3.8916 8.0611 119.6850 59.1437 29.8268 178.2827 102 A 4.0677 8.0047 120.8575 55.2908 18.4191 179.5206 103 L 3.4713 7.9975 117.3013 57.8142 41.6179 180.0477 104 V 3.8023 7.4357 119.3638 65.6020 31.3196 178.0172 105 R 3.8645 8.1744 117.4989 59.2409 29.9802 177.3521 106 Q 4.2071 7.9734 116.6304 55.5957 29.4233 175.7200 107 G 3.8746 8.1934 107.3579 47.6031 0.0000 174.6150 108 L 4.3985 7.7576 116.9714 53.7138 42.1899 176.1850 109 A 4.5408 7.3394 118.9804 51.1569 22.4242 175.8989 110 K 4.7909 8.4824 119.2240 54.5749 35.2448 176.0472 111 V 4.2742 8.7398 122.8814 62.9223 31.9857 175.8737 112 A 4.5335 8.4907 130.0080 50.7103 20.2901 176.6416 113 Y 4.1546 8.3806 116.6612 57.5630 38.6114 176.8167 114 V 3.7406 8.4464 122.5903 63.3667 32.5179 174.7969 115 Y 4.5621 8.4258 126.3493 56.4843 40.7383 175.5550 116 K 3.7815 9.2769 128.9144 57.5175 29.6631 176.6324 117 G 4.0285 8.2384 103.5256 45.8207 0.0000 174.3893 118 N 4.8017 7.7311 118.2316 51.7954 37.2176 174.1795 119 N 5.1400 8.1551 114.9332 52.1463 39.1121 176.9091 120 T 3.8348 8.2888 117.1972 67.4045 68.7450 174.6514 121 H 4.8277 8.0716 115.4481 55.6446 29.1902 176.4111 122 E 4.0146 8.3236 123.4962 59.6471 29.2327 179.0909 123 Q 3.9920 8.0248 117.5029 58.7475 28.9834 177.9966 124 L 3.9229 7.9649 120.8995 58.4391 42.0021 179.0233 125 L 4.0630 8.0966 118.6713 57.6962 41.5787 179.6023 126 R 3.9058 8.4665 118.5878 59.1782 30.0695 179.2673 127 K 3.9432 8.3548 118.2510 59.3069 32.0641 179.2192 128 A 3.9709 7.8934 120.8498 55.1438 18.2211 179.3150 129 E 3.8912 8.4538 117.7335 59.3106 29.6693 178.7865 130 A 3.7234 7.9522 120.8178 55.1443 18.3998 179.4335 131 Q 3.7799 7.9412 117.5365 59.2850 29.1774 178.2996 132 A 4.0150 7.9919 121.8246 54.7980 18.3182 179.5915 133 K 3.0879 7.7718 118.3478 59.4061 31.9769 179.1653 134 K 3.8392 7.7190 117.4161 59.2676 32.0557 178.2670 135 E 4.2324 7.9726 115.7065 55.3310 30.3415 176.2294 136 K 4.1290 7.7912 117.3945 56.0228 30.6108 175.4151 137 L 4.2836 8.1588 118.0769 55.7289 44.4966 178.5538 138 N 3.4725 9.3828 118.3463 54.0146 38.3940 176.3217 139 I 2.9003 4.0000 127.3020 64.6499 37.9293 176.6585 140 W 4.8510 8.0764 118.7888 56.5832 29.0224 176.6979 141 S 4.4866 8.5476 121.8053 59.0256 62.1532 174.1065 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 7 L 8.17 4.50 0.00 1.85 1.82 1.12 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.51 4.85 0.00 3.32 3.23 0.00 5.52 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.25 4.61 0.00 1.57 1.67 0.00 1.41 0.00 0.00 1.29 0.00 0.00 2.13 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.12 1.29 7.81 10 E 9.01 4.96 0.00 2.13 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 2.34 2.15 0.00 11 P 0.00 4.98 0.00 2.09 2.07 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 12 A 8.47 4.96 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 13 T 8.58 4.62 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 1.22 0.00 0.00 14 L 8.74 4.20 0.00 1.65 1.58 0.92 1.10 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 15 I 8.47 4.34 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.85 0.94 0.00 0.00 16 K 7.53 4.39 0.00 1.79 1.60 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.38 7.81 17 A 8.78 4.59 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.35 4.20 2.00 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 1.30 0.68 0.90 0.00 0.00 19 D 8.05 4.62 0.00 2.65 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.76 3.74 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 0.00 0.00 0.00 21 D 8.04 4.85 0.00 2.83 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 22 T 7.67 5.19 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 1.27 0.00 0.00 23 V 8.81 4.93 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 0.73 0.00 0.00 0.94 0.00 0.00 24 K 9.45 4.97 0.00 1.99 1.72 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.58 7.81 25 L 9.53 5.27 0.00 1.76 1.60 0.89 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.38 4.82 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 27 Y 9.03 4.98 0.00 3.31 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 28 K 9.58 3.44 0.00 1.45 1.59 0.00 1.62 0.00 0.00 1.49 0.00 0.00 2.71 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.97 0.21 7.81 29 G 8.97 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 0.00 0.00 0.00 30 Q 7.95 4.81 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 31 P 0.00 4.88 0.00 2.15 2.15 0.00 3.85 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 2.03 2.00 0.00 32 M 9.18 4.73 0.00 2.28 2.06 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.19 0.00 33 T 8.44 4.92 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 1.21 0.00 0.00 34 F 9.65 5.05 0.00 3.00 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 35 R 8.99 5.00 0.00 1.83 1.73 0.00 3.31 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 36 L 8.64 4.32 0.00 1.52 1.58 0.98 1.29 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 37 L 8.73 3.90 0.00 0.95 1.25 0.20 0.74 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 38 L 8.73 3.69 0.00 1.97 1.79 1.14 0.94 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 39 V 7.34 4.94 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 0.80 0.00 0.00 0.92 0.00 0.00 40 D 9.21 4.94 0.00 2.51 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 41 T 8.32 4.81 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 1.18 0.00 0.00 42 P 0.00 4.32 0.00 2.22 2.12 0.00 3.56 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 2.15 2.02 0.00 43 E 9.82 4.38 0.00 2.12 1.77 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 2.23 2.39 0.00 44 T 7.62 4.34 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 1.25 0.00 0.00 45 K 7.70 4.04 0.00 1.85 1.91 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.38 7.81 *51 V 7.71 3.81 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 0.76 0.00 0.00 0.99 0.00 0.00 52 E 8.86 4.26 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 2.30 2.23 0.00 53 K 8.30 4.04 0.00 1.64 1.64 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.52 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.72 0.89 7.81 54 Y 8.07 4.38 0.00 3.21 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 55 G 8.08 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 56 P 0.00 4.32 0.00 2.27 2.31 0.00 3.66 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 2.04 2.02 0.00 57 E 8.10 4.01 0.00 2.41 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 2.56 2.51 0.00 58 A 8.50 4.02 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 59 S 8.31 4.14 0.00 4.11 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 60 A 8.18 4.00 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 61 F 8.42 3.92 0.00 3.32 3.26 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 62 T 8.30 3.89 4.42 0.00 0.00 0.00 0.00 0.00 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 63 K 8.28 3.81 0.00 1.89 2.02 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.44 7.81 64 K 8.47 3.79 0.00 1.80 1.84 0.00 1.65 0.00 0.00 1.46 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.48 7.81 65 M 7.72 3.83 0.00 1.84 1.66 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 66 N 8.06 4.48 0.00 2.86 2.81 0.00 0.00 7.04 7.68 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 67 E 8.24 3.96 0.00 2.00 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 2.33 2.37 0.00 68 N 8.03 4.51 0.00 2.73 2.82 0.00 0.00 7.00 6.99 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 69 A 7.19 5.00 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 70 K 8.92 4.21 0.00 1.84 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.45 7.81 71 K 8.56 4.70 0.00 1.67 1.65 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.38 7.81 72 I 8.42 5.04 2.03 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 1.33 1.23 0.84 0.00 0.00 73 E 9.31 5.18 0.00 1.90 1.77 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 2.21 2.26 0.00 74 V 8.80 4.71 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 0.09 0.00 0.00 0.72 0.00 0.00 75 E 9.07 4.84 0.00 2.18 2.31 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 2.55 2.44 0.00 76 F 9.08 4.62 0.00 3.07 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 77 D 8.61 4.99 0.00 2.75 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 78 K 9.11 4.40 0.00 1.90 1.97 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.42 7.81 79 G 7.93 4.36 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 0.00 80 Q 8.60 4.08 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 81 R 8.60 4.61 0.00 1.72 1.78 0.00 3.09 0.00 0.00 3.54 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.31 0.00 82 T 7.52 5.07 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 1.20 0.00 0.00 83 D 8.60 4.85 0.00 2.84 2.75 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 84 K 8.40 3.91 0.00 1.57 1.85 0.00 1.27 0.00 0.00 1.59 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.14 0.30 7.81 85 Y 7.98 4.30 0.00 3.09 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 86 G 8.19 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 0.00 0.00 0.00 87 R 8.36 4.40 0.00 1.98 1.85 0.00 3.10 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 88 G 8.50 3.61 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 0.00 0.00 0.00 89 L 8.88 5.28 0.00 1.58 1.63 1.13 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.28 4.36 0.80 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 91 Y 8.68 4.80 0.00 2.99 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.72 4.80 1.76 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.13 0.85 0.00 0.00 93 Y 9.31 5.01 0.00 2.78 2.83 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 94 A 9.18 4.83 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 95 D 10.02 4.35 0.00 2.84 2.71 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 96 G 8.37 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 0.00 0.00 0.00 97 K 7.88 4.51 0.00 1.97 1.76 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.38 7.81 98 M 8.49 3.95 0.00 1.86 1.56 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.35 0.00 99 V 8.78 3.61 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 1.01 0.00 0.00 0.92 0.00 0.00 100 N 8.05 4.29 0.00 2.89 2.92 0.00 0.00 6.76 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 0.00 101 E 8.06 3.89 0.00 1.97 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 2.37 2.35 0.00 102 A 8.00 4.07 1.61 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 0.00 0.00 103 L 8.00 3.47 0.00 1.87 1.63 1.01 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.44 3.80 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 1.34 0.00 0.00 0.96 0.00 0.00 105 R 8.17 3.86 0.00 1.83 2.07 0.00 3.35 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 106 Q 7.97 4.21 0.00 1.93 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.30 0.00 0.00 0.00 0.00 0.00 2.03 2.24 0.00 107 G 8.19 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 0.00 108 L 7.76 4.40 0.00 1.23 1.46 0.39 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.34 4.54 1.13 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 0.00 0.00 0.00 0.00 0.00 110 K 8.48 4.79 0.00 1.69 1.77 0.00 1.56 0.00 0.00 1.55 0.00 0.00 2.35 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.25 1.12 7.81 111 V 8.74 4.27 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 0.95 0.00 0.00 112 A 8.49 4.53 1.29 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 0.00 0.00 113 Y 8.38 4.15 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 0.00 114 V 8.45 3.74 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 0.88 0.00 0.00 1.03 0.00 0.00 115 Y 8.43 4.56 0.00 3.08 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 0.00 116 K 9.28 3.78 0.00 1.59 1.55 0.00 1.47 0.00 0.00 1.36 0.00 0.00 2.49 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.30 0.58 7.81 117 G 8.24 4.03 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 0.00 0.00 0.00 118 N 7.73 4.80 0.00 2.97 2.85 0.00 0.00 6.67 7.27 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 0.00 119 N 8.16 5.14 0.00 3.09 3.03 0.00 0.00 6.10 7.22 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 0.00 120 T 8.29 3.83 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 1.00 0.00 0.00 121 H 8.07 4.83 0.00 2.98 3.11 0.00 5.63 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.32 4.01 0.00 2.13 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 2.34 2.40 0.00 123 Q 8.02 3.99 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.64 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 124 L 7.96 3.92 0.00 1.75 1.89 0.95 0.60 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 0.00 125 L 8.10 4.06 0.00 1.91 1.72 1.03 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 0.00 126 R 8.47 3.91 0.00 1.94 1.96 0.00 3.26 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.82 0.00 127 K 8.35 3.94 0.00 1.93 1.83 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.65 7.81 128 A 7.89 3.97 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 0.00 129 E 8.45 3.89 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 2.17 2.57 0.00 130 A 7.95 3.72 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 0.00 131 Q 7.94 3.78 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 132 A 7.99 4.02 1.53 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 0.00 0.00 133 K 7.77 3.09 0.00 1.07 1.46 0.00 1.23 0.00 0.00 1.07 0.00 0.00 2.40 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.90 0.21 7.81 134 K 7.72 3.84 0.00 1.86 1.81 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.56 7.81 135 E 7.97 4.23 0.00 1.96 1.98 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 2.30 2.48 0.00 136 K 7.79 4.13 0.00 1.89 1.98 0.00 1.67 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.51 7.81 137 L 8.16 4.28 0.00 1.80 1.69 0.99 0.67 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 0.00 138 N 9.38 3.47 0.00 2.52 1.42 0.00 0.00 7.13 7.32 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 0.00 139 I 4.00 2.90 1.08 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 -0.10 -0.02 0.00 0.00 140 W 8.08 4.85 0.00 3.49 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 0.00 141 S 8.55 4.49 0.00 3.93 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 * Residues marked with a * may have inaccurate shift predictions.