NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8677 8.1676 115.8920 57.2285 40.3030 176.6938 11 H 3.5840 5.9410 117.7305 56.7528 28.2260 173.7659 12 E 3.9271 8.1066 120.3867 58.4036 30.3534 178.2709 13 M 4.5801 7.3717 115.2758 55.4440 32.0536 177.1591 14 R 4.5254 7.6330 116.8225 55.5025 32.7041 175.3577 15 E 3.9966 8.1713 117.6843 55.1974 29.7955 174.7713 16 P 4.3700 0.0000 0.0000 63.1218 32.3941 175.4122 17 R 4.4631 8.0442 115.7710 55.0557 33.2722 174.0412 18 I 4.3284 8.3071 121.6917 61.1704 37.3121 175.3614 19 E 4.3417 9.2002 129.8343 58.3402 30.2368 176.6828 20 K 4.8689 7.7353 116.8469 55.5668 36.3776 174.8642 21 V 4.5707 8.5779 122.7358 61.3089 33.9526 174.7868 22 V 4.4372 8.2128 130.1034 61.7327 32.3650 174.9331 23 V 4.3791 8.2088 122.8647 60.7621 32.9398 175.1366 24 H 5.2776 9.0977 124.2289 55.1263 33.9410 172.2148 25 M 4.5009 8.5182 123.3749 53.4353 34.5313 174.5810 26 G 3.6670 8.2173 112.2186 46.2863 0.0000 171.8184 27 I 3.7322 8.2659 127.5756 60.6026 37.0770 176.1105 28 G 4.0178 5.5713 124.2200 46.0335 0.0000 172.3643 29 H 4.5618 7.2912 114.7331 55.5818 31.7058 174.3655 *35 A 4.2935 8.0276 123.9803 52.2229 18.9215 178.6246 36 N 4.3770 9.3975 121.3276 54.2633 38.0281 176.7319 37 A 4.2598 7.8750 120.7993 53.1833 19.2616 178.9101 38 E 3.8218 8.3168 116.8214 59.3525 29.2652 178.6301 39 D 4.4244 8.2488 118.7018 57.7092 40.8030 179.1785 40 I 3.9881 7.3525 112.8930 64.0008 37.5186 178.3052 41 L 4.0986 7.9510 120.4715 57.5197 41.5569 179.5176 42 G 3.6293 7.9753 105.4819 46.9365 0.0000 175.5826 43 E 4.0852 7.6201 118.6460 59.1095 29.8162 178.6637 44 I 3.9520 8.1649 118.2043 63.1626 38.0741 177.0668 45 T 4.4970 8.1100 109.4454 64.8452 69.8438 174.7714 46 G 3.8726 7.1445 110.9769 44.6274 0.0000 173.5025 47 Q 4.6632 7.5257 116.9053 53.6008 31.2873 174.8086 48 M 4.0689 8.3165 117.5874 55.3757 32.3649 174.5971 49 P 4.8953 0.0000 0.0000 61.5251 33.9432 175.0141 50 V 4.4802 8.1745 118.9397 61.1529 34.7392 175.2105 51 R 4.5507 8.7353 125.9457 56.8054 31.2714 176.1626 52 T 4.5423 8.4913 117.0314 62.0138 71.9108 174.2920 53 K 5.2754 8.9963 125.5446 54.8225 34.2674 174.8812 54 A 4.9278 7.9740 121.6488 50.2680 22.1451 175.3949 55 K 4.5780 7.9977 115.7776 56.0124 36.2185 175.1735 56 R 4.0931 8.7227 124.7587 55.9689 29.8033 176.2093 57 T 4.4425 8.2727 117.2884 63.0625 69.7311 174.5888 58 V 4.5323 8.9873 125.6636 60.6096 34.5602 176.7474 59 G 3.7374 8.7226 114.1945 48.1945 0.0000 173.9185 60 E 4.2819 8.0345 118.6917 57.0764 29.3415 175.9523 61 F 4.3130 8.1286 114.5192 60.9612 38.7124 174.9829 62 D 4.9842 7.9374 115.8047 52.2831 40.1951 176.7983 63 I 3.8945 7.5754 113.1038 61.5351 39.3332 177.0721 64 R 4.0819 7.7795 121.8411 55.3278 29.4679 174.8708 65 E 3.8435 8.3386 128.2209 58.5437 30.2831 176.0055 66 G 4.0421 7.7014 116.6845 46.0726 0.0000 171.4950 67 D 4.6757 8.2927 123.4589 50.9757 42.4890 173.3734 68 P 4.4330 0.0000 0.0000 63.8664 31.3780 175.9300 69 I 4.5043 9.1508 123.1865 62.1125 41.3868 175.0549 70 G 4.5054 7.7081 106.2519 45.0539 0.0000 171.1789 71 A 5.8906 8.5637 118.8459 51.2296 22.9422 175.7047 72 K 5.5458 8.3698 117.9430 55.1498 37.2415 175.3357 73 V 4.5297 7.9684 119.8686 61.8827 34.6818 173.1822 74 T 4.6952 8.5336 119.3274 60.6060 69.7832 173.9679 75 L 4.6517 8.5256 127.3518 53.2857 43.6991 176.2045 76 R 4.9352 7.9673 120.6593 54.3396 34.5477 175.9791 77 D 4.3772 8.9775 121.8531 55.9177 39.7642 176.1154 78 E 4.0107 9.0043 127.7998 60.7491 28.8827 177.9429 79 M 4.0713 8.1791 117.9539 58.1501 31.9568 178.6769 80 A 3.9549 7.8886 120.4676 55.0998 18.8361 179.2670 81 E 3.9296 8.0589 116.6695 59.8636 29.4436 179.4405 82 E 3.9323 8.3258 117.3237 59.2415 29.7452 179.2469 83 F 4.3080 7.7187 120.6478 61.2606 39.6080 177.5344 84 L 4.0954 8.1093 118.3234 57.7129 41.1492 179.4018 85 Q 4.0894 8.2033 117.5534 57.8874 28.6421 176.9974 86 T 4.3871 7.5740 106.5042 61.0128 70.9340 174.6849 87 A 4.1394 7.5947 125.5935 54.4148 19.7686 179.4954 88 L 3.8596 8.2948 116.3773 57.5361 41.7032 177.8779 89 P 4.3103 0.0000 0.0000 64.5890 31.2868 176.7701 90 L 4.4108 7.4852 116.4692 54.2798 41.6868 175.3953 91 A 4.7509 7.8189 121.1730 50.4475 22.1027 176.5740 92 E 4.5079 8.1595 118.3879 53.6464 29.9506 175.2477 93 L 3.9584 8.2135 121.7629 54.8298 42.3162 176.7874 94 A 5.6933 8.2452 124.3740 49.7367 21.2270 176.6516 95 T 4.1595 8.4631 115.4009 66.8916 68.8809 177.8402 96 S 4.2861 8.0604 114.8210 60.6989 63.3290 175.4291 97 Q 4.4651 7.9425 119.5723 56.3358 28.0634 174.9660 98 F 5.1080 7.8063 116.7534 55.4554 41.4073 175.3154 99 D 4.6758 9.8503 124.7085 53.9400 41.7224 177.0848 100 D 4.4682 8.6653 123.3858 57.3936 41.0007 177.5007 101 T 4.4180 8.6406 114.6832 63.1039 68.5677 174.5209 102 G 3.8564 8.1291 108.7182 47.2951 0.0000 172.8952 103 N 5.3919 7.8610 114.7918 51.3217 42.8864 173.3736 104 F 4.7596 7.9887 110.4222 56.8084 41.2493 173.1013 105 S 5.0650 8.6297 115.6105 56.4544 65.0490 172.8682 106 F 4.8738 8.4144 120.3851 56.2211 41.2316 173.3588 107 G 4.1894 8.8973 103.7418 44.6994 0.0000 173.1658 *128 L 4.0062 8.4418 123.3246 55.1621 43.5107 176.2771 129 D 4.7666 8.9248 126.6668 52.9716 43.7425 176.2660 130 V 4.2028 7.7922 120.8423 61.7566 34.4593 173.8856 131 T 4.6400 8.2347 125.0480 61.5881 71.6004 174.0389 132 V 4.4767 7.8829 124.7526 61.1011 34.3852 173.7986 133 N 4.6997 9.3085 128.4053 52.6144 39.7882 173.5119 134 L 5.2502 8.2434 126.4569 53.3821 44.3941 176.0384 135 V 4.1685 7.8490 119.8524 61.2277 35.2486 172.1793 136 R 4.5927 8.2372 119.4924 54.4684 31.5906 176.6811 137 P 4.1947 0.0000 0.0000 64.8555 31.9403 176.9194 138 G 4.2305 8.3437 107.9746 44.9219 0.0000 174.7230 139 Y 4.2593 8.3133 123.2966 60.2014 38.7698 176.9621 140 R 3.7880 8.2369 119.3756 59.4053 29.8850 178.2816 141 V 3.5782 7.7656 117.2778 64.9802 31.2310 176.6875 142 A 4.7607 7.6803 119.2670 51.0887 19.4870 177.0667 143 K 4.2266 7.3905 115.4903 56.3424 34.1619 176.9171 144 R 4.2131 7.6165 114.8640 55.6643 30.2218 176.7115 145 D 4.4194 8.4799 118.3857 56.9999 41.0424 177.2747 146 K 4.0969 7.8690 118.2108 57.4034 33.5732 176.5058 147 A 4.2531 8.7453 123.3619 52.8989 16.2488 177.3905 148 S 4.5668 7.2005 112.4096 60.6570 63.8113 173.4455 149 R 4.6318 8.8168 120.3814 55.1694 33.8575 173.7758 150 S 4.5256 8.5204 119.0683 57.6755 63.3458 173.8961 151 I 3.8817 8.3135 127.9351 60.5102 37.8153 174.4303 152 P 4.4651 0.0000 0.0000 62.5115 32.0094 177.3201 153 T 3.9375 8.6606 111.7755 65.3104 68.0941 176.7367 154 K 4.0155 7.9753 119.8597 59.1868 32.2960 177.8807 155 H 4.4205 7.9621 115.5483 56.2696 30.4009 175.5932 156 R 4.1770 6.9828 119.6499 56.2481 30.6324 176.1929 157 L 4.1592 8.2527 123.0683 55.0250 43.1127 176.4622 158 N 5.0087 8.2543 121.2009 50.9770 42.0946 174.5355 159 P 4.2614 0.0000 0.0000 65.6765 31.4561 178.8654 160 A 3.8331 7.8474 118.9189 55.4617 18.3103 179.3969 161 D 4.3550 8.0699 116.2623 57.0418 40.9009 178.7456 162 A 4.1086 7.8799 121.7538 54.7152 18.5004 179.6888 163 V 3.0291 7.5621 116.5930 66.0076 31.4761 177.6558 164 A 3.9511 7.7461 120.3274 55.3693 17.9506 179.0199 165 F 4.0715 7.7669 117.6369 61.7592 39.5305 177.3800 166 I 3.6591 7.5530 117.4693 64.2894 37.2826 177.7133 167 E 4.0391 8.7825 120.5765 58.9989 29.0702 177.6328 168 S 4.5087 7.9311 111.9259 57.7333 64.2430 175.1678 169 T 4.6845 7.5912 116.1703 62.8601 70.4086 173.0156 170 Y 3.4083 7.8208 123.4629 58.1755 35.1585 168.9759 171 D 4.2949 7.2480 117.4153 53.8395 41.2624 174.9975 172 V 4.4542 7.9413 118.6752 60.8265 34.7576 177.2232 173 E 4.6716 8.5033 128.8379 56.2441 28.6052 177.0258 174 V 3.6746 7.6920 118.3344 61.7540 32.0288 174.7315 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 10 F 8.17 4.87 0.00 3.35 3.35 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 11 H 5.94 3.58 0.00 3.06 2.51 0.00 5.46 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.11 3.93 0.00 1.59 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 2.21 2.20 0.00 13 M 7.37 4.58 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 14 R 7.63 4.53 0.00 1.91 1.87 0.00 3.30 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 15 E 8.17 4.00 0.00 2.18 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 2.43 2.24 0.00 16 P 0.00 4.37 0.00 0.76 1.61 0.00 3.54 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.94 0.00 17 R 8.04 4.46 0.00 1.85 1.87 0.00 2.76 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 18 I 8.31 4.33 1.98 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 1.45 0.84 0.99 0.00 0.00 19 E 9.20 4.34 0.00 1.88 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 0.00 2.33 2.30 0.00 20 K 7.74 4.87 0.00 1.79 1.82 0.00 1.47 0.00 0.00 1.75 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.40 7.81 21 V 8.58 4.57 1.96 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 0.89 0.00 0.00 0.98 0.00 0.00 22 V 8.21 4.44 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 0.80 0.00 0.00 0.85 0.00 0.00 23 V 8.21 4.38 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 -0.22 0.00 0.00 0.73 0.00 0.00 24 H 9.10 5.28 0.00 3.07 2.98 0.00 5.52 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.52 4.50 0.00 1.90 1.85 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 26 G 8.22 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 0.00 0.00 0.00 27 I 8.27 3.73 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.70 0.76 0.00 0.00 28 G 5.57 4.02 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 0.00 0.00 0.00 29 H 7.29 4.56 0.00 3.13 3.31 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 A 8.03 4.29 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 36 N 9.40 4.38 0.00 2.84 2.97 0.00 0.00 5.92 7.26 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 37 A 7.87 4.26 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 38 E 8.32 3.82 0.00 2.10 2.00 0.00 0.00 0.00 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 2.46 0.00 39 D 8.25 4.42 0.00 2.68 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.35 3.99 1.88 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 1.73 1.20 0.91 0.00 0.00 41 L 7.95 4.10 0.00 1.86 1.72 0.87 0.88 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 42 G 7.98 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 0.00 0.00 0.00 43 E 7.62 4.09 0.00 2.16 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 2.34 2.50 0.00 44 I 8.16 3.95 2.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.82 1.08 0.00 0.00 45 T 8.11 4.50 4.13 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 0.99 0.00 0.00 46 G 7.14 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 47 Q 7.53 4.66 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.87 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 48 M 8.32 4.07 0.00 2.01 2.03 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 2.60 2.56 0.00 49 P 0.00 4.90 0.00 1.90 1.96 0.00 3.60 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 1.95 2.04 0.00 50 V 8.17 4.48 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 1.04 0.00 0.00 0.96 0.00 0.00 51 R 8.74 4.55 0.00 1.72 1.83 0.00 3.35 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 52 T 8.49 4.54 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 1.19 0.00 0.00 53 K 9.00 5.28 0.00 1.62 1.73 0.00 1.72 0.00 0.00 1.91 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.26 7.81 54 A 7.97 4.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.00 4.58 0.00 1.58 1.65 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.45 7.81 56 R 8.72 4.09 0.00 1.98 1.98 0.00 3.20 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 57 T 8.27 4.44 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 58 V 8.99 4.53 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 1.03 0.00 0.00 1.00 0.00 0.00 59 G 8.72 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 60 E 8.03 4.28 0.00 2.14 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 2.31 2.34 0.00 61 F 8.13 4.31 0.00 3.06 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.94 4.98 0.00 2.87 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 63 I 7.58 3.89 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.62 1.05 0.00 0.00 64 R 7.78 4.08 0.00 1.75 2.07 0.00 3.19 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 65 E 8.34 3.84 0.00 2.04 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 66 G 7.70 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 67 D 8.29 4.68 0.00 2.63 2.68 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 68 P 0.00 4.43 0.00 1.93 2.05 0.00 3.59 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 2.01 2.12 0.00 69 I 9.15 4.50 1.99 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 1.13 1.05 0.91 0.00 0.00 70 G 7.71 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 0.00 0.00 0.00 0.00 71 A 8.56 5.89 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.37 5.55 0.00 1.81 1.87 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.22 7.81 73 V 7.97 4.53 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.92 0.00 0.00 74 T 8.53 4.70 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 75 L 8.53 4.65 0.00 1.59 1.64 0.57 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.97 4.94 0.00 1.63 1.78 0.00 3.34 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00 77 D 8.98 4.38 0.00 2.88 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 0.00 0.00 0.00 78 E 9.00 4.01 0.00 2.02 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 2.42 2.41 0.00 79 M 8.18 4.07 0.00 2.02 2.24 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 80 A 7.89 3.95 1.41 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 81 E 8.06 3.93 0.00 2.10 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 0.00 2.40 2.56 0.00 82 E 8.33 3.93 0.00 2.03 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 2.36 2.46 0.00 83 F 7.72 4.31 0.00 3.15 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 84 L 8.11 4.10 0.00 2.00 1.81 1.11 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.20 4.09 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.20 2.54 0.00 86 T 7.57 4.39 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 1.14 0.00 0.00 87 A 7.59 4.14 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.29 3.86 0.00 1.75 1.71 1.01 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.31 0.00 2.00 2.09 0.00 3.65 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 90 L 7.49 4.41 0.00 1.81 1.71 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.82 4.75 0.75 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 92 E 8.16 4.51 0.00 1.92 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 2.17 2.27 0.00 93 L 8.21 3.96 0.00 1.65 1.71 0.90 0.73 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 94 A 8.25 5.69 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 95 T 8.46 4.16 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 1.20 0.00 0.00 96 S 8.06 4.29 0.00 4.06 4.17 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 97 Q 7.94 4.47 0.00 2.62 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 98 F 7.81 5.11 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 9.85 4.68 0.00 2.85 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 0.00 100 D 8.67 4.47 0.00 2.73 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 0.00 101 T 8.64 4.42 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 1.24 0.00 0.00 102 G 8.13 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 0.00 0.00 0.00 103 N 7.86 5.39 0.00 2.85 2.84 0.00 0.00 6.53 8.13 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 0.00 104 F 7.99 4.76 0.00 2.70 1.57 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 0.00 0.00 0.00 0.00 105 S 8.63 5.07 0.00 3.72 3.66 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 0.00 106 F 8.41 4.87 0.00 3.11 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.90 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *128 L 8.44 4.01 0.00 1.75 1.61 0.94 1.19 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 0.00 129 D 8.92 4.77 0.00 2.67 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 V 7.79 4.20 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 0.00 0.00 0.85 0.00 0.00 0.95 0.00 0.00 131 T 8.23 4.64 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 132 V 7.88 4.48 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.65 0.00 0.00 133 N 9.31 4.70 0.00 2.72 2.64 0.00 0.00 6.64 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.24 5.25 0.00 1.78 1.51 1.20 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.85 4.17 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.64 0.00 0.00 136 R 8.24 4.59 0.00 1.73 1.81 0.00 3.12 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 137 P 0.00 4.19 0.00 2.06 2.14 0.00 3.60 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 2.01 2.10 0.00 138 G 8.34 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 0.00 0.00 0.00 0.00 139 Y 8.31 4.26 0.00 3.00 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 0.00 140 R 8.24 3.79 0.00 1.93 1.94 0.00 3.24 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 141 V 7.77 3.58 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 0.99 0.00 0.00 0.98 0.00 0.00 142 A 7.68 4.76 1.07 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 0.00 0.00 0.00 0.00 0.00 143 K 7.39 4.23 0.00 1.60 1.76 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.74 1.21 7.81 144 R 7.62 4.21 0.00 1.90 1.91 0.00 3.04 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 145 D 8.48 4.42 0.00 2.67 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 K 7.87 4.10 0.00 1.92 1.92 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.42 7.81 147 A 8.75 4.25 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 0.00 148 S 7.20 4.57 0.00 3.66 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 0.00 149 R 8.82 4.63 0.00 1.82 1.72 0.00 3.07 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 150 S 8.52 4.53 0.00 3.91 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 0.00 151 I 8.31 3.88 1.98 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 1.45 1.13 1.03 0.00 0.00 152 P 0.00 4.47 0.00 2.21 1.99 0.00 3.64 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 153 T 8.66 3.94 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 1.23 0.00 0.00 154 K 7.98 4.02 0.00 1.77 1.94 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.57 7.81 155 H 7.96 4.42 0.00 3.17 3.37 0.00 5.95 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 6.98 4.18 0.00 2.02 1.88 0.00 3.44 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.75 0.00 157 L 8.25 4.16 0.00 1.53 1.76 0.86 0.98 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 0.00 158 N 8.25 5.01 0.00 3.00 2.68 0.00 0.00 7.03 8.03 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 0.00 159 P 0.00 4.26 0.00 2.12 2.14 0.00 3.60 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.44 0.00 160 A 7.85 3.83 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 0.00 161 D 8.07 4.36 0.00 2.81 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 0.00 162 A 7.88 4.11 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.56 3.03 1.96 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 0.81 0.00 0.00 0.14 0.00 0.00 164 A 7.75 3.95 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 0.00 165 F 7.77 4.07 0.00 2.95 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 I 7.55 3.66 1.85 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 1.65 1.08 0.93 0.00 0.00 167 E 8.78 4.04 0.00 2.05 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 2.25 2.32 0.00 168 S 7.93 4.51 0.00 3.87 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 0.00 169 T 7.59 4.68 4.24 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 1.33 0.00 0.00 170 Y 7.82 3.41 0.00 3.04 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 0.00 171 D 7.25 4.29 0.00 2.75 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 V 7.94 4.45 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 0.84 0.00 0.00 0.90 0.00 0.00 173 E 8.50 4.67 0.00 2.04 1.38 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 2.32 2.25 0.00 174 V 7.69 3.67 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 0.93 0.00 0.00 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.