NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 P 4.1542 0.0000 0.0000 61.9405 32.8489 175.8040 32 A 3.9701 8.4673 127.2494 53.9546 18.3336 172.7870 33 V 4.3826 8.1580 114.1663 60.1387 35.3851 171.7688 34 P 4.3257 0.0000 0.0000 62.5184 31.3618 175.8354 35 A 4.2472 7.9124 122.9606 51.2715 21.6299 175.3527 36 V 4.6079 8.0193 114.4112 59.7085 34.4645 175.1333 37 F 4.8653 8.9018 121.6501 55.7873 41.4436 174.6013 38 L 5.2952 8.4599 122.5428 51.8843 44.0562 175.9682 *40 K 4.1580 8.5302 123.4664 56.1992 33.1909 175.6161 41 T 4.2341 9.1744 123.9945 63.3741 69.0521 175.2113 42 I 3.6496 8.5942 123.9822 64.1021 38.1471 176.6582 43 E 4.3094 8.2050 118.2070 56.1998 29.2851 177.7860 44 G 3.9986 8.1798 109.5402 45.0235 0.0000 174.1671 45 E 4.1285 7.8562 120.7843 56.3925 31.0812 175.2968 46 D 5.1909 8.6458 125.8629 53.7980 41.8613 175.8020 47 I 4.8505 8.4711 123.9970 59.4298 41.1101 174.6259 48 S 5.7682 8.4281 117.3504 55.9761 67.3613 173.1984 49 I 4.8688 8.2309 120.6369 59.3230 40.5008 173.3345 50 P 4.8707 0.0000 0.0000 62.1241 32.8982 175.2875 51 N 4.8361 8.4047 117.1215 50.8148 39.4459 175.5004 52 K 3.6154 9.0123 123.0676 58.3867 32.6993 176.7299 53 G 4.0564 8.7932 116.4953 45.6279 0.0000 171.9160 54 Q 4.6019 7.3269 114.7707 54.8519 32.3316 173.8742 55 K 4.5407 8.5662 125.9496 56.4156 34.2317 175.5748 56 T 5.1517 8.8476 121.1765 61.9266 72.4767 172.9556 57 I 4.9731 9.0674 127.8275 60.0484 38.9337 174.2854 58 L 5.0685 8.8547 130.4432 53.6440 43.9916 174.5409 59 H 5.4053 8.8050 125.7738 54.3748 32.9204 171.8210 60 F 5.2905 8.8801 124.3266 55.5381 41.7263 174.6391 61 W 4.9430 8.2583 119.1486 55.9405 31.8341 172.9525 62 T 4.6565 8.0576 109.7085 59.5759 70.9686 174.3055 63 S 3.6894 8.9976 117.6163 60.2904 63.1501 175.5669 64 W 4.4240 7.4965 116.4811 57.7075 28.8391 176.2531 65 C 3.6542 6.7008 119.7942 58.8939 31.3470 171.8896 66 P 4.2898 0.0000 0.0000 65.5486 30.9877 176.9427 67 P 4.2825 0.0000 0.0000 65.4852 31.2705 178.6231 68 C 4.2200 7.9285 115.3328 62.5383 27.9611 175.4781 69 K 3.9816 8.0784 120.6012 59.5769 31.8991 178.3363 70 K 4.2152 7.6221 115.6056 58.3466 32.7308 177.6203 71 E 4.2643 7.6811 119.1709 57.9704 29.8208 177.6461 72 L 3.9179 7.9622 119.4368 57.4633 41.5618 177.6270 73 P 4.3916 0.0000 0.0000 65.2271 31.2523 178.4301 74 Q 3.8937 8.0614 118.9516 59.1730 28.9263 178.1935 75 F 3.8955 8.1094 118.3757 59.9954 38.8526 177.5031 76 Q 4.3337 8.3297 119.4643 59.3047 28.9869 177.9160 77 S 4.1034 8.3940 114.5034 61.5085 62.5104 175.6653 78 F 4.1762 8.1814 123.0557 61.7411 38.8418 176.4243 79 Y 3.7570 7.9715 117.3997 60.8224 38.6452 177.5551 80 D 4.3647 8.3829 118.9335 57.1995 41.0026 178.3127 81 A 3.9855 7.9725 120.2590 52.6456 19.7440 176.7894 82 H 3.5858 7.4394 115.1038 56.6386 28.5163 172.3785 83 P 4.3468 0.0000 0.0000 64.7308 32.0365 177.3677 84 S 4.7412 7.5119 109.8126 56.5135 65.1254 172.9912 85 D 4.7033 8.6151 124.1181 54.9420 41.8665 177.2680 86 S 4.7494 7.9660 112.9129 57.9333 64.3371 173.6555 87 V 4.9176 7.6621 119.8873 61.2369 34.3893 174.2099 88 K 4.6279 9.4805 129.5911 54.5502 34.4095 174.4456 89 L 5.1634 8.8585 130.5002 54.4422 42.8992 175.8715 90 V 4.6351 8.9787 126.5369 60.1656 34.4532 174.6452 91 T 4.9794 8.6376 120.0356 61.6749 72.0200 173.2349 92 V 4.4309 9.0417 126.3011 60.9227 33.5836 173.8136 93 N 3.6777 8.9735 128.3278 52.6237 40.1633 174.9209 94 L 4.5239 8.0265 127.9049 53.2801 40.4297 177.6904 95 V 3.7365 7.5393 121.9492 63.8927 31.9302 178.8363 96 N 4.4960 8.0730 115.6052 54.8626 38.5431 175.3990 97 S 4.7660 7.9798 113.7957 58.1107 63.1106 173.4288 98 E 4.8764 7.8812 120.0446 54.1211 31.9979 175.8679 99 Q 4.0162 8.5964 121.4645 58.4148 29.2258 176.5221 100 N 4.6508 7.3711 111.4854 51.0656 39.8944 174.5281 101 Q 4.0053 8.4991 117.8161 59.2936 28.9380 177.6521 102 Q 3.9635 8.1384 120.3908 59.0106 29.1321 178.0569 103 V 3.6438 8.2940 119.4335 66.0254 31.4818 178.2027 104 V 3.6453 7.4704 116.8767 66.1224 31.4664 177.4112 105 E 3.9749 8.2566 118.4473 59.9842 29.3212 179.4262 106 D 4.4040 8.6117 118.7473 57.2637 40.8377 178.6196 107 F 4.1146 8.4885 121.0748 61.4505 39.4581 177.0989 108 I 3.6810 8.4392 119.7344 64.2657 36.9388 178.2579 109 K 3.8136 8.1455 119.9408 59.6367 31.8986 178.6461 110 A 3.9890 8.4375 120.0241 54.7358 18.3326 178.3248 111 N 4.4235 7.8330 112.0771 51.7947 39.4238 175.1323 112 K 3.6906 7.6157 119.0629 57.1483 30.3593 175.6755 113 L 4.1235 7.6341 117.9005 54.7493 41.9985 177.6611 114 T 4.2869 8.7459 120.0783 63.0659 70.3930 174.6709 115 F 2.9858 6.5955 115.8180 54.8619 39.0130 172.9976 116 P 4.8298 0.0000 0.0000 62.4114 32.3200 175.5025 117 I 5.1170 8.6856 125.0266 59.4740 40.3475 174.6423 118 V 4.6331 9.1894 127.4948 60.9872 34.2224 174.1364 119 L 4.5906 8.3658 127.3440 53.1527 42.2760 177.4615 120 D 4.6215 8.5424 127.3293 53.1272 39.8449 176.9419 121 S 4.1331 7.8631 118.1460 61.2060 63.5362 176.1280 122 K 4.1922 8.0538 116.6208 56.0186 32.4433 177.4177 123 G 3.9804 7.9150 106.5324 45.3678 0.0000 174.7120 124 E 4.1797 8.1338 121.4562 59.1697 29.9733 179.4304 125 L 4.0250 8.0265 114.4384 55.6689 41.3792 178.4838 *127 K 4.1466 8.1619 121.6376 56.4739 33.8640 177.5791 128 E 3.7822 8.7020 119.6573 58.7928 29.6210 177.3407 129 Y 4.1032 7.9523 113.6030 56.9110 38.4348 175.1127 130 H 3.9845 7.3260 115.7615 56.7858 26.7985 175.8368 131 I 3.9924 7.4821 118.7496 61.1132 37.4162 176.4153 132 I 4.4659 8.3430 125.0887 61.0054 39.4627 175.8557 133 T 4.7539 7.7215 115.6309 61.3880 71.7813 173.1132 134 I 4.7446 7.8731 116.6291 58.3864 40.8601 173.3336 135 P 4.8397 0.0000 0.0000 62.4229 32.9159 175.3078 136 T 5.1020 8.3781 117.7138 62.0850 72.9050 173.0360 137 S 5.3778 9.2994 121.4064 56.8558 67.1750 173.1125 138 F 5.4248 9.5295 121.4549 55.6490 43.2722 173.7692 139 L 4.9175 8.5563 124.0721 53.5158 43.6896 175.0573 140 L 5.3104 9.0965 127.1248 53.0630 44.8666 176.8434 141 N 5.1525 8.5329 120.0221 51.6639 39.1948 175.5975 142 E 4.2051 8.6688 116.5802 58.8311 29.4630 178.0305 143 K 4.2595 8.2344 116.4066 55.8040 32.5300 177.2423 144 G 3.9974 8.2660 107.2881 45.6218 0.0000 173.8416 145 E 4.1476 8.3120 119.8736 55.6752 30.1357 176.2813 146 I 4.4415 8.1884 123.9182 61.1413 37.4036 175.4829 147 E 4.3047 9.3200 126.4543 58.0897 30.2984 177.4937 148 K 4.6441 7.5982 117.0103 54.6661 36.4604 175.5331 149 T 5.0597 8.5892 119.0979 61.6585 72.0822 173.1919 150 K 4.5668 9.4366 127.2711 54.7890 35.2331 174.5961 151 I 4.6043 8.4130 128.7817 61.1074 38.4679 175.7889 152 G 3.8009 9.0757 113.6013 43.7176 0.0000 170.7911 153 P 4.7671 0.0000 0.0000 61.8279 32.0825 176.3896 *155 T 3.9283 8.0581 108.0149 61.5656 70.8977 174.2907 156 A 3.6889 8.1327 123.1978 55.3157 18.3995 179.6170 157 E 3.9943 7.8694 116.6384 58.6156 29.8827 178.5561 158 Q 3.7910 7.6193 118.0420 58.5516 28.4594 178.2975 159 L 3.2566 7.0395 119.2021 57.3385 41.7592 179.1594 160 K 4.2128 7.7822 119.5326 59.4195 32.1350 178.4525 161 E 4.4820 7.9290 120.7203 58.6666 29.3611 178.8362 162 W 4.4934 8.0896 117.7745 59.8186 29.0915 178.1159 163 T 4.2628 7.7318 115.0432 65.8476 68.2790 174.4831 164 E 4.2003 8.2937 125.1034 56.5673 29.6080 176.3650 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 31 P 0.00 4.15 0.00 1.84 1.38 0.00 3.59 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00 32 A 8.47 3.97 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 33 V 8.16 4.38 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 0.78 0.00 0.00 0.90 0.00 0.00 34 P 0.00 4.33 0.00 2.03 1.95 0.00 3.72 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 1.99 2.04 0.00 35 A 7.91 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.02 4.61 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 0.90 0.00 0.00 37 F 8.90 4.87 0.00 3.03 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 38 L 8.46 5.30 0.00 1.53 1.59 0.93 1.00 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 *40 K 8.53 4.16 0.00 1.76 1.78 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.67 7.81 41 T 9.17 4.23 4.51 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 42 I 8.59 3.65 2.04 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 1.32 0.63 0.91 0.00 0.00 43 E 8.20 4.31 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 2.33 2.32 0.00 44 G 8.18 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 45 E 7.86 4.13 0.00 2.10 1.86 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 2.41 2.38 0.00 46 D 8.65 5.19 0.00 2.63 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 47 I 8.47 4.85 1.91 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 1.45 1.22 0.96 0.00 0.00 48 S 8.43 5.77 0.00 3.95 3.96 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 49 I 8.23 4.87 2.15 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 1.45 1.07 1.00 0.00 0.00 50 P 0.00 4.87 0.00 2.11 2.15 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.23 0.00 51 N 8.40 4.84 0.00 2.82 2.83 0.00 0.00 6.86 7.64 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 52 K 9.01 3.62 0.00 1.73 1.79 0.00 1.94 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.49 7.81 53 G 8.79 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 54 Q 7.33 4.60 0.00 2.20 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 55 K 8.57 4.54 0.00 2.08 1.69 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.60 1.42 7.81 56 T 8.85 5.15 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 1.33 0.00 0.00 57 I 9.07 4.97 2.14 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.89 1.24 0.00 0.00 58 L 8.85 5.07 0.00 1.79 1.68 0.63 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 59 H 8.81 5.41 0.00 3.13 2.81 0.00 5.79 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.88 5.29 0.00 2.93 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 61 W 8.26 4.94 0.00 3.35 2.89 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 0.00 0.00 0.00 0.00 62 T 8.06 4.66 3.80 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 0.93 0.00 0.00 63 S 9.00 3.69 0.00 2.72 3.12 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 0.00 0.00 0.00 64 W 7.50 4.42 0.00 3.55 3.22 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 0.00 65 C 6.70 3.65 0.00 2.17 2.66 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 0.00 0.00 0.00 0.00 66 P 0.00 4.29 0.00 2.23 2.15 0.00 3.68 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 67 P 0.00 4.28 0.00 2.14 2.09 0.00 3.55 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 68 C 7.93 4.22 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 69 K 8.08 3.98 0.00 2.01 2.04 0.00 2.01 0.00 0.00 1.88 0.00 0.00 3.40 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.61 1.76 7.81 70 K 7.62 4.22 0.00 1.95 1.94 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.44 7.81 71 E 7.68 4.26 0.00 2.24 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 2.44 2.36 0.00 72 L 7.96 3.92 0.00 1.94 1.71 0.22 0.65 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 73 P 0.00 4.39 0.00 2.16 2.11 0.00 3.63 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 74 Q 8.06 3.89 0.00 2.26 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 75 F 8.11 3.90 0.00 2.62 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 0.00 0.00 0.00 76 Q 8.33 4.33 0.00 2.49 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.68 0.00 77 S 8.39 4.10 0.00 3.93 4.10 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 78 F 8.18 4.18 0.00 2.93 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 79 Y 7.97 3.76 0.00 3.10 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 80 D 8.38 4.36 0.00 2.92 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 81 A 7.97 3.99 1.33 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 0.00 0.00 82 H 7.44 3.59 0.00 2.94 3.14 0.00 5.96 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 P 0.00 4.35 0.00 2.16 2.14 0.00 3.21 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.10 0.00 84 S 7.51 4.74 0.00 3.81 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 85 D 8.62 4.70 0.00 2.71 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 86 S 7.97 4.75 0.00 3.95 4.09 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 87 V 7.66 4.92 2.19 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 0.97 0.00 0.00 1.01 0.00 0.00 88 K 9.48 4.63 0.00 1.96 1.72 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.57 7.81 89 L 8.86 5.16 0.00 2.06 1.86 1.28 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.98 4.64 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 0.75 0.00 0.00 0.89 0.00 0.00 91 T 8.64 4.98 4.87 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 1.86 0.00 0.00 92 V 9.04 4.43 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 0.82 0.00 0.00 0.32 0.00 0.00 93 N 8.97 3.68 0.00 1.82 2.24 0.00 0.00 6.80 6.67 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 94 L 8.03 4.52 0.00 1.61 1.55 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.54 3.74 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 0.88 0.00 0.00 0.89 0.00 0.00 96 N 8.07 4.50 0.00 2.73 2.91 0.00 0.00 6.82 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 S 7.98 4.77 0.00 4.11 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 98 E 7.88 4.88 0.00 2.06 1.87 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 2.40 2.38 0.00 99 Q 8.60 4.02 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 100 N 7.37 4.65 0.00 2.93 2.88 0.00 0.00 5.74 7.44 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 0.00 101 Q 8.50 4.01 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.94 0.00 0.00 0.00 0.00 0.00 2.54 2.40 0.00 102 Q 8.14 3.96 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.65 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 103 V 8.29 3.64 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 1.01 0.00 0.00 1.02 0.00 0.00 104 V 7.47 3.65 2.22 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 1.00 0.00 0.00 0.97 0.00 0.00 105 E 8.26 3.97 0.00 2.31 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 0.00 2.36 2.46 0.00 106 D 8.61 4.40 0.00 2.89 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 0.00 107 F 8.49 4.11 0.00 3.34 3.36 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 0.00 108 I 8.44 3.68 2.09 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 1.68 1.02 0.89 0.00 0.00 109 K 8.15 3.81 0.00 1.97 1.95 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.44 7.81 110 A 8.44 3.99 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 N 7.83 4.42 0.00 2.27 2.55 0.00 0.00 7.19 7.49 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 0.00 112 K 7.62 3.69 0.00 1.81 1.79 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.32 7.81 113 L 7.63 4.12 0.00 1.35 0.89 0.80 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.75 4.29 4.25 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 1.39 0.00 0.00 115 F 6.60 2.99 0.00 2.75 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 0.00 0.00 0.00 0.00 116 P 0.00 4.83 0.00 2.26 2.08 0.00 3.90 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.04 0.00 117 I 8.69 5.12 1.94 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 1.45 0.85 1.13 0.00 0.00 118 V 9.19 4.63 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 0.91 0.00 0.00 0.93 0.00 0.00 119 L 8.37 4.59 0.00 1.51 1.54 0.84 1.02 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 0.00 120 D 8.54 4.62 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 0.00 121 S 7.86 4.13 0.00 3.90 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 0.00 122 K 8.05 4.19 0.00 1.78 1.88 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.39 7.81 123 G 7.91 3.98 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 0.00 0.00 0.00 124 E 8.13 4.18 0.00 2.13 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 2.47 2.39 0.00 125 L 8.03 4.02 0.00 2.19 1.97 -0.14 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 *127 K 8.16 4.15 0.00 1.91 2.07 0.00 1.73 0.00 0.00 1.90 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.43 7.81 128 E 8.70 3.78 0.00 2.17 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 2.18 1.48 0.00 129 Y 7.95 4.10 0.00 2.89 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 0.00 130 H 7.33 3.98 0.00 3.24 3.33 0.00 5.84 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 7.48 3.99 1.58 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.36 0.73 0.00 0.00 132 I 8.34 4.47 1.88 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 1.60 0.89 0.92 0.00 0.00 133 T 7.72 4.75 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 1.20 0.00 0.00 134 I 7.87 4.74 1.81 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 1.31 0.50 0.92 0.00 0.00 135 P 0.00 4.84 0.00 2.16 2.15 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.96 0.00 136 T 8.38 5.10 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 0.77 0.00 0.00 137 S 9.30 5.38 0.00 3.81 4.01 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 0.00 138 F 9.53 5.42 0.00 2.92 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 0.00 139 L 8.56 4.92 0.00 0.47 1.10 0.71 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 140 L 9.10 5.31 0.00 1.62 1.59 1.01 0.53 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 0.00 141 N 8.53 5.15 0.00 2.97 3.22 0.00 0.00 7.00 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 E 8.67 4.21 0.00 1.99 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 0.00 2.49 2.35 0.00 143 K 8.23 4.26 0.00 1.84 1.84 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.43 7.81 144 G 8.27 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 0.00 145 E 8.31 4.15 0.00 2.22 1.87 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 2.32 2.28 0.00 146 I 8.19 4.44 1.93 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.49 1.16 0.00 0.00 147 E 9.32 4.30 0.00 1.73 1.87 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 2.27 2.24 0.00 148 K 7.60 4.64 0.00 0.79 1.29 0.00 1.45 0.00 0.00 1.61 0.00 0.00 2.71 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.83 0.21 7.81 149 T 8.59 5.06 4.33 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 1.18 0.00 0.00 150 K 9.44 4.57 0.00 2.01 1.64 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.31 7.81 151 I 8.41 4.60 1.86 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 1.23 0.71 0.90 0.00 0.00 152 G 9.08 3.80 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 0.00 153 P 0.00 4.77 0.00 2.01 2.03 0.00 3.74 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 *155 T 8.06 3.93 4.10 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 1.10 0.00 0.00 156 A 8.13 3.69 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 0.00 157 E 7.87 3.99 0.00 2.02 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 2.31 2.39 0.00 158 Q 7.62 3.79 0.00 1.85 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.58 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 159 L 7.04 3.26 0.00 0.80 0.13 -0.64 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 160 K 7.78 4.21 0.00 2.01 1.93 0.00 1.67 0.00 0.00 1.90 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.53 7.81 161 E 7.93 4.48 0.00 2.17 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 0.00 2.51 2.38 0.00 162 W 8.09 4.49 0.00 3.34 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 0.00 163 T 7.73 4.26 4.52 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 1.29 0.00 0.00 164 E 8.29 4.20 0.00 2.22 1.87 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 2.35 2.44 0.00 * Residues marked with a * may have inaccurate shift predictions.