NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2365 8.2985 120.1930 56.1913 31.8282 177.1522 3 A 3.9248 8.2719 125.9672 54.6858 19.0065 174.4909 4 V 3.7964 8.3456 117.7290 65.5194 32.0838 176.2880 5 K 3.8447 8.0892 118.0224 60.0672 31.8999 179.0729 6 T 3.8941 7.6392 114.6088 66.5316 68.3386 176.6539 7 F 4.1958 8.2329 122.4460 61.4438 39.3957 176.6236 8 N 4.2884 8.6245 116.4178 56.6380 38.2171 177.4030 9 S 4.1074 7.7806 115.9394 61.6802 62.7225 176.7644 10 E 3.8629 7.8402 119.7771 59.1401 29.5862 178.7282 11 L 3.5690 7.5274 120.6028 58.4134 41.8845 178.6820 12 Y 4.0614 7.8838 114.5539 59.9049 37.9422 177.5628 13 S 4.5006 7.5420 114.0911 59.3443 63.5307 175.9780 14 L 4.1687 7.3442 125.2143 54.6938 40.0819 177.0586 *16 D 4.2881 7.9091 113.3290 53.9620 42.4073 176.0957 *18 K 3.9926 8.0431 119.7188 55.3719 32.4830 173.5139 19 P 4.5561 0.0000 0.0000 61.6830 31.9289 174.7209 20 P 4.4706 0.0000 0.0000 62.8047 31.8787 176.2494 21 I 4.0953 8.2127 121.9169 60.6139 37.9233 176.2727 22 S 4.3186 8.4646 119.0858 58.0690 63.5835 174.4259 23 K 3.9792 8.8038 122.2112 59.7436 32.3929 178.2118 24 A 4.1257 8.1900 121.1915 55.2947 18.4424 180.1345 25 K 4.1211 7.9923 115.0785 57.2912 31.8079 178.7976 *27 T 4.2933 8.0880 115.3522 63.2751 70.5141 176.3883 28 Q 4.0620 8.1512 120.1556 58.9526 28.6167 179.0089 29 I 3.7422 8.0469 120.9909 64.7294 37.1395 178.6537 30 T 3.9082 7.8948 115.9633 66.6177 68.3628 176.7186 31 K 3.9826 8.5532 120.5977 59.5308 31.8746 179.1877 32 A 4.1107 8.0043 119.6712 55.0718 18.5871 179.3912 33 A 3.6520 8.0528 119.2977 55.3836 18.2749 180.0096 34 I 3.9660 7.7593 117.0540 64.4797 37.1934 178.5827 35 K 4.2754 8.2835 118.7119 58.8509 32.0200 178.0329 36 A 4.7358 7.7723 119.8861 52.2121 18.9720 178.8342 37 I 3.6364 7.8968 123.5525 65.1654 38.2979 177.8253 38 K 3.6209 8.0846 120.2807 58.7439 32.0719 176.8575 39 F 4.9467 8.1386 118.0934 56.5605 39.6907 177.2239 40 Y 4.1893 8.0081 122.0923 60.5474 37.3831 177.6939 41 K 3.5464 6.9030 119.3704 59.3942 32.1103 178.8640 42 H 4.1891 8.4188 116.5757 58.5597 28.7317 177.9020 43 V 3.5640 7.8175 119.6680 65.9903 31.4004 178.0780 44 V 3.2984 7.9559 118.0471 65.9322 31.2666 177.4807 45 Q 4.0163 7.9794 119.3279 59.4226 28.8326 178.4503 46 S 4.2752 8.3084 113.8739 61.5677 62.4955 176.2883 47 V 3.7777 8.0894 120.6674 66.1176 31.2417 177.8297 48 E 4.1305 8.5772 118.3073 59.5603 29.3661 179.5249 49 K 4.0520 8.5174 118.7106 59.3165 32.0968 179.2053 50 F 4.0325 8.5654 121.0173 61.4076 39.0849 177.3119 51 I 3.6742 7.8774 118.2225 64.2991 36.9373 177.9124 52 Q 4.0795 8.2566 119.7785 58.6383 29.0558 177.6123 53 K 4.3793 7.7331 116.8721 55.8592 33.2205 176.6946 54 C 4.1794 6.9719 113.9049 57.0518 30.4765 173.7115 55 K 4.1792 8.3224 119.7404 55.6777 32.4341 176.3797 56 P 4.1668 0.0000 0.0000 65.9750 30.9102 178.7133 57 E 3.8597 7.9567 114.5400 58.4995 29.7771 177.5116 58 Y 4.6630 7.7161 116.5195 57.7262 38.3407 177.4503 59 K 3.8454 7.6054 121.5770 59.4939 32.1983 179.2422 60 V 3.1591 7.4718 117.7497 65.4295 31.4681 175.7561 61 P 4.3301 0.0000 0.0000 65.7990 31.0303 178.6452 62 G 3.7056 8.4696 104.6360 47.7901 0.0000 175.5332 63 L 3.8806 7.8766 122.8930 58.0354 42.0529 178.6022 64 Y 4.4459 8.2466 117.1787 61.0091 37.7079 178.9310 65 V 3.6186 7.8319 119.3011 65.9990 31.6013 177.9821 66 I 3.3699 7.4833 119.2857 64.3609 36.8738 177.6135 67 D 4.8214 8.6007 118.9870 57.8329 41.1075 178.3495 68 S 4.1177 8.6131 113.7461 61.4175 62.3070 176.2369 69 I 3.6145 7.9304 122.3856 64.3941 36.8254 178.5957 70 V 3.6634 8.1150 119.3530 66.0842 31.3517 178.2525 71 R 3.9185 8.2782 117.9633 59.3323 29.9548 178.8473 72 Q 3.9856 8.2212 119.3399 59.1999 29.0058 178.2296 73 S 4.4829 8.4398 114.3427 61.5578 62.5329 176.2905 74 R 4.1169 8.3427 121.0158 59.5089 29.5962 178.4693 75 H 4.0641 8.1153 116.7077 59.4028 29.9781 176.8332 76 Q 3.7913 8.3637 120.2205 58.4281 28.9834 177.0634 77 F 4.7129 8.4081 116.0796 55.8502 40.9145 176.6362 78 G 4.0828 7.6825 106.5278 45.0914 0.0000 174.8098 79 Q 3.9727 8.5938 120.5743 58.9053 28.8669 178.2415 80 E 4.1087 8.0958 115.2854 58.1715 29.7831 177.5611 81 K 4.2405 7.7681 115.8755 56.2235 33.1700 176.2145 82 D 4.2902 7.7218 119.1369 54.8928 41.4037 176.5727 83 V 3.6076 7.8429 118.7633 62.9207 32.6666 178.5620 84 F 4.1492 8.6320 119.1451 60.3442 38.8298 177.4594 85 A 4.0730 8.5334 120.3043 54.8501 17.9144 177.6910 86 P 4.2592 0.0000 0.0000 65.8750 31.5445 178.5209 87 R 4.0983 7.8878 117.0764 59.5842 29.7574 178.5157 88 F 4.4913 8.8712 118.2379 60.6931 38.7327 177.7534 89 S 4.4177 8.7189 114.0035 61.2812 62.4189 176.1147 90 N 4.4339 7.7410 119.6167 56.1445 38.6337 176.2477 91 N 4.9734 7.4668 115.2606 53.1255 39.0926 176.5779 92 I 3.8618 7.5096 123.8925 64.1724 37.9521 178.0904 93 I 3.7305 7.7608 120.3118 64.3930 37.0807 177.9822 94 S 4.1623 8.1530 113.3669 61.8213 62.2453 175.9887 95 T 3.9119 8.1888 118.3538 67.0095 68.2820 176.5769 96 F 3.7187 8.7660 119.5111 59.9380 38.6498 177.5395 97 Q 4.1787 8.1525 118.9324 59.4049 29.1008 178.0485 98 N 4.4844 8.1555 117.2325 56.3909 38.5671 177.3770 99 L 3.8088 7.7948 120.3273 57.8365 41.3957 178.4926 100 Y 4.7220 7.6238 113.4907 58.9768 37.8166 175.9946 101 R 4.4743 7.5796 119.3514 56.1384 30.2052 176.3276 102 C 4.4190 7.4974 113.5914 56.6774 30.7150 171.5168 103 P 4.3688 0.0000 0.0000 62.1703 31.6164 177.8266 104 G 3.8663 8.9550 108.7192 48.3664 0.0000 175.5479 105 D 4.4705 7.9904 119.0980 55.5339 39.7230 177.3761 106 D 4.5242 8.3663 120.2684 55.5944 41.0729 178.1732 107 K 4.0458 7.8363 121.2953 59.4267 32.1401 178.7490 108 S 4.2113 8.0416 114.2279 61.2670 63.0172 176.4884 109 K 4.0555 7.9059 122.2892 59.1441 31.6171 179.4774 110 I 3.5986 7.5987 119.7759 64.3526 37.2336 178.3518 111 V 3.6275 7.6859 118.6362 65.9990 31.2944 178.1891 112 R 3.8875 7.9661 117.7754 59.2261 29.8616 179.0764 113 V 3.3747 7.4860 117.3828 65.9968 31.3840 178.0174 114 L 3.8639 7.8836 118.7457 57.8655 41.4046 179.2131 115 N 4.3606 8.7234 116.7145 56.3966 38.4565 177.4935 116 L 4.0895 7.9480 120.3418 57.3903 41.6857 179.2954 117 W 4.6072 8.5925 119.4157 60.0260 28.9836 178.2846 118 Q 4.0493 8.5929 119.4445 59.1957 28.3474 178.0550 119 K 3.9642 8.0954 119.2737 59.3034 32.2965 177.4618 120 N 4.7332 8.2479 113.1955 51.8494 39.3103 174.5134 121 N 4.2349 7.9044 116.6932 54.2974 36.9218 175.8549 122 V 3.4866 8.1853 118.7516 64.9972 32.0255 175.4342 123 F 4.8172 7.6596 115.3576 54.8071 42.7225 174.3373 124 K 4.2581 8.3991 122.5936 55.9952 32.8666 177.5548 125 S 4.1341 8.8406 117.8840 61.6366 61.8484 176.3193 126 E 4.0316 8.1577 118.5051 58.4782 29.3859 178.5541 127 I 4.0268 7.8738 121.4416 64.0387 37.6042 178.1234 128 I 3.8745 7.6342 120.1366 64.1407 37.0436 177.9196 129 Q 3.9544 8.2958 120.6675 59.0464 28.6802 176.8994 130 P 4.5542 0.0000 0.0000 65.4900 31.3784 178.3023 131 L 4.1034 7.1162 117.5388 57.7161 41.7741 179.1399 132 L 4.2388 8.0835 119.0001 57.7271 41.5179 180.2427 133 D 4.1759 8.4823 117.1152 54.6035 40.3454 178.3720 *135 A 3.5131 8.0374 123.9306 51.9872 20.4487 179.8459 136 A 3.9640 7.7904 117.2159 55.1591 18.5170 178.8560 137 A 4.0937 7.7120 117.8108 54.4825 18.8051 177.4682 138 L 4.0839 7.1672 119.0538 55.2371 41.5630 176.9474 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 2 E 8.30 4.24 0.00 1.93 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 2.26 2.21 0.00 3 A 8.27 3.92 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 4 V 8.35 3.80 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 1.29 0.00 0.00 0.73 0.00 0.00 5 K 8.09 3.84 0.00 1.99 1.86 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.56 7.81 6 T 7.64 3.89 4.46 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 0.00 0.00 0.00 1.26 0.00 0.00 7 F 8.23 4.20 0.00 3.22 3.13 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 8 N 8.62 4.29 0.00 3.00 2.88 0.00 0.00 7.08 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.78 4.11 0.00 4.05 3.90 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 10 E 7.84 3.86 0.00 1.94 1.89 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 2.33 2.46 0.00 11 L 7.53 3.57 0.00 0.69 1.16 0.05 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 7.88 4.06 0.00 3.09 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 13 S 7.54 4.50 0.00 3.95 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 14 L 7.34 4.17 0.00 1.51 1.58 0.64 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 *16 D 7.91 4.29 0.00 2.71 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 *18 K 8.04 3.99 0.00 1.74 1.81 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.51 7.81 19 P 0.00 4.56 0.00 2.01 1.99 0.00 3.59 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 1.86 2.12 0.00 20 P 0.00 4.47 0.00 2.22 2.12 0.00 3.77 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 2.01 2.01 0.00 21 I 8.21 4.10 1.97 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.90 0.95 0.00 0.00 22 S 8.46 4.32 0.00 3.98 3.89 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 23 K 8.80 3.98 0.00 1.76 1.92 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.43 7.81 24 A 8.19 4.13 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 25 K 7.99 4.12 0.00 1.87 1.92 0.00 1.49 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.43 7.81 *27 T 8.09 4.29 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 1.22 0.00 0.00 28 Q 8.15 4.06 0.00 2.38 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 29 I 8.05 3.74 1.88 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.83 0.95 0.00 0.00 30 T 7.89 3.91 4.39 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 1.26 0.00 0.00 31 K 8.55 3.98 0.00 1.81 1.91 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.65 7.81 32 A 8.00 4.11 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.05 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.76 3.97 1.99 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.94 1.26 0.00 0.00 35 K 8.28 4.28 0.00 2.05 1.97 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.63 7.81 36 A 7.77 4.74 1.49 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 0.00 0.00 37 I 7.90 3.64 2.11 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.93 0.83 0.00 0.00 38 K 8.08 3.62 0.00 1.48 1.18 0.00 1.57 0.00 0.00 1.27 0.00 0.00 2.66 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.44 1.11 7.81 39 F 8.14 4.95 0.00 3.04 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 40 Y 8.01 4.19 0.00 2.34 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 41 K 6.90 3.55 0.00 1.52 1.61 0.00 1.36 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.86 0.21 7.81 42 H 8.42 4.19 0.00 3.44 3.39 0.00 5.82 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.82 3.56 2.38 0.00 0.00 0.00 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 0.80 0.00 0.00 44 V 7.96 3.30 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 0.71 0.00 0.00 0.17 0.00 0.00 45 Q 7.98 4.02 0.00 2.28 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 46 S 8.31 4.28 0.00 4.28 4.38 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.09 3.78 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 1.18 0.00 0.00 1.37 0.00 0.00 48 E 8.58 4.13 0.00 2.38 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 2.57 2.81 0.00 49 K 8.52 4.05 0.00 2.11 2.01 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.72 7.81 50 F 8.57 4.03 0.00 2.87 3.13 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 51 I 7.88 3.67 2.05 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 1.43 0.91 0.84 0.00 0.00 52 Q 8.26 4.08 0.00 2.17 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 53 K 7.73 4.38 0.00 1.84 1.83 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.61 7.81 54 C 6.97 4.18 0.00 2.58 1.90 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 55 K 8.32 4.18 0.00 1.95 1.92 0.00 1.91 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.55 1.52 7.81 56 P 0.00 4.17 0.00 2.08 2.20 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 2.08 2.13 0.00 57 E 7.96 3.86 0.00 1.76 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 1.47 1.55 0.00 58 Y 7.72 4.66 0.00 2.88 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 59 K 7.61 3.85 0.00 1.58 1.69 0.00 1.58 0.00 0.00 1.47 0.00 0.00 2.82 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.51 7.81 60 V 7.47 3.16 1.80 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 0.28 0.00 0.00 0.71 0.00 0.00 61 P 0.00 4.33 0.00 2.56 2.25 0.00 3.69 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 2.33 2.20 0.00 62 G 8.47 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 0.00 0.00 0.00 63 L 7.88 3.88 0.00 1.42 1.53 0.63 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 8.25 4.45 0.00 3.11 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 65 V 7.83 3.62 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 1.13 0.00 0.00 0.87 0.00 0.00 66 I 7.48 3.37 2.05 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 0.60 0.57 0.50 0.00 0.00 67 D 8.60 4.82 0.00 3.14 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 68 S 8.61 4.12 0.00 3.99 3.90 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 69 I 7.93 3.61 2.08 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 1.29 0.58 0.25 0.00 0.00 70 V 8.11 3.66 2.12 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 0.83 0.00 0.00 1.13 0.00 0.00 71 R 8.28 3.92 0.00 2.05 2.00 0.00 3.35 0.00 0.00 3.60 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 72 Q 8.22 3.99 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 73 S 8.44 4.48 0.00 4.28 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 0.00 74 R 8.34 4.12 0.00 2.10 1.97 0.00 2.97 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 75 H 8.12 4.06 0.00 3.14 3.49 0.00 5.75 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.36 3.79 0.00 1.95 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.51 0.00 0.00 0.00 0.00 0.00 1.19 1.98 0.00 77 F 8.41 4.71 0.00 3.09 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 78 G 7.68 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 0.00 0.00 0.00 0.00 79 Q 8.59 3.97 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.07 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 80 E 8.10 4.11 0.00 1.93 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 2.29 2.25 0.00 81 K 7.77 4.24 0.00 1.96 1.81 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.35 7.81 82 D 7.72 4.29 0.00 2.70 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.84 3.61 0.67 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 0.38 0.00 0.00 -0.27 0.00 0.00 84 F 8.63 4.15 0.00 3.34 3.25 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 85 A 8.53 4.07 0.78 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 0.00 0.00 86 P 0.00 4.26 0.00 1.99 2.13 0.00 3.73 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 87 R 7.89 4.10 0.00 2.16 2.06 0.00 3.17 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 88 F 8.87 4.49 0.00 3.58 3.21 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 89 S 8.72 4.42 0.00 4.21 4.61 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 90 N 7.74 4.43 0.00 2.86 2.99 0.00 0.00 6.90 7.89 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 91 N 7.47 4.97 0.00 3.12 2.88 0.00 0.00 6.75 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 92 I 7.51 3.86 2.07 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.79 0.85 0.00 0.00 93 I 7.76 3.73 1.92 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 1.54 1.05 0.97 0.00 0.00 94 S 8.15 4.16 0.00 3.94 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 95 T 8.19 3.91 4.60 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 96 F 8.77 3.72 0.00 3.17 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 97 Q 8.15 4.18 0.00 2.32 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.96 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 98 N 8.16 4.48 0.00 2.96 2.81 0.00 0.00 7.06 6.75 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 99 L 7.79 3.81 0.00 1.11 1.13 -0.31 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 7.62 4.72 0.00 3.08 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 0.00 101 R 7.58 4.47 0.00 2.01 1.93 0.00 3.27 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 102 C 7.50 4.42 0.00 2.99 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 0.00 103 P 0.00 4.37 0.00 2.35 1.97 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 104 G 8.95 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 0.00 105 D 7.99 4.47 0.00 2.83 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 D 8.37 4.52 0.00 2.94 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 0.00 107 K 7.84 4.05 0.00 1.82 1.95 0.00 1.58 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.56 7.81 108 S 8.04 4.21 0.00 4.10 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 0.00 109 K 7.91 4.06 0.00 1.81 1.93 0.00 1.59 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.47 7.81 110 I 7.60 3.60 2.11 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.51 0.80 0.00 0.00 111 V 7.69 3.63 2.12 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 0.88 0.00 0.00 1.02 0.00 0.00 112 R 7.97 3.89 0.00 2.08 1.97 0.00 3.21 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.94 0.00 113 V 7.49 3.37 1.90 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 0.12 0.00 0.00 1.00 0.00 0.00 114 L 7.88 3.86 0.00 1.88 1.72 0.98 0.70 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 0.00 115 N 8.72 4.36 0.00 2.94 2.90 0.00 0.00 7.05 6.62 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 0.00 116 L 7.95 4.09 0.00 1.90 1.81 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 117 W 8.59 4.61 0.00 3.63 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 0.00 118 Q 8.59 4.05 0.00 2.31 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 119 K 8.10 3.96 0.00 1.94 2.05 0.00 1.90 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.67 7.81 120 N 8.25 4.73 0.00 2.92 2.87 0.00 0.00 7.21 7.61 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 0.00 121 N 7.90 4.23 0.00 2.81 2.87 0.00 0.00 6.85 9.02 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 0.00 122 V 8.19 3.49 1.84 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 -0.03 0.00 0.00 0.98 0.00 0.00 123 F 7.66 4.82 0.00 2.95 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 0.00 124 K 8.40 4.26 0.00 1.87 1.73 0.00 1.66 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.62 7.81 125 S 8.84 4.13 0.00 3.96 3.89 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 0.00 126 E 8.16 4.03 0.00 2.18 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 2.31 2.42 0.00 127 I 7.87 4.03 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.26 0.71 0.00 0.00 128 I 7.63 3.87 1.95 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.72 0.99 0.00 0.00 129 Q 8.30 3.95 0.00 2.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 130 P 0.00 4.55 0.00 2.03 2.10 0.00 3.86 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 131 L 7.12 4.10 0.00 1.66 1.18 0.21 0.62 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 0.00 132 L 8.08 4.24 0.00 1.90 1.72 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 133 D 8.48 4.18 0.00 2.81 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 *135 A 8.04 3.51 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 0.00 136 A 7.79 3.96 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 0.00 137 A 7.71 4.09 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 7.17 4.08 0.00 1.65 1.51 0.41 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.