NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3722 8.3444 118.9641 56.1827 30.6011 173.2168 2 L 4.6391 8.5871 120.9811 52.8956 44.4989 173.5749 3 Q 5.0816 9.4865 125.2938 54.1440 33.1367 173.8448 4 E 4.6331 8.9362 122.8919 54.5423 32.4589 175.0044 5 K 4.6828 8.7374 124.5496 54.8956 33.9046 176.5041 6 L 4.4925 9.1512 127.6482 53.2804 42.0763 175.2693 7 Y 4.2506 8.4706 121.6876 57.7624 38.8315 175.8655 8 V 4.1860 7.8975 117.2365 58.1982 34.3474 174.8237 9 P 4.7781 0.0000 0.0000 62.9397 30.8163 177.0552 10 V 4.1397 9.1728 126.2169 64.7727 31.2029 178.3543 11 K 4.1980 8.1854 118.3381 59.2429 31.9898 178.4338 12 E 4.1618 8.3564 118.5386 57.5611 30.4609 176.6403 13 Y 4.7677 7.5779 115.6133 55.3303 37.8959 174.2990 14 P 4.4219 0.0000 0.0000 65.0495 32.1786 178.1588 15 D 4.5130 8.0933 116.6128 54.3919 41.4382 175.6465 16 F 4.3586 7.5148 120.8818 55.9303 39.9104 175.6035 17 N 4.4090 7.7358 127.8820 51.9700 37.1905 175.2748 18 F 4.1591 8.1732 126.8698 60.3976 39.1287 177.6427 19 V 3.6647 7.8405 117.7669 66.0816 31.2482 178.2940 20 G 3.5815 7.9146 104.4885 47.0544 0.0000 175.3166 21 R 3.8942 7.6442 120.5469 58.8254 30.2990 177.9476 22 I 4.0832 8.1597 118.8359 63.2821 37.5727 177.4217 23 L 4.7062 7.8398 118.3050 55.5931 40.8636 177.8978 24 G 3.7842 8.6357 106.8069 47.4429 0.0000 172.1291 25 P 4.4438 0.0000 0.0000 63.4694 32.9406 177.7488 26 R 4.5482 7.7989 117.3254 55.8922 30.6243 177.7921 27 G 3.7720 8.0548 109.5884 47.1826 0.0000 175.7355 28 L 3.9874 8.0263 120.5625 58.3441 41.5729 179.3767 29 T 3.8072 8.1741 112.7817 64.9890 67.1971 176.1140 30 A 4.0213 7.8735 122.4659 54.9441 18.3747 179.5724 31 K 4.0840 7.9238 117.7366 59.7315 32.3678 179.0098 32 Q 4.0110 8.3175 118.7258 58.8173 28.6218 178.6606 33 L 4.0019 8.3680 120.7618 57.7826 41.1730 179.4566 34 E 4.7511 8.3197 118.3676 58.8094 29.3627 179.0617 35 A 3.9772 7.9666 120.9820 54.6035 18.5252 178.8274 36 E 4.2481 8.3509 116.1354 58.8356 30.3186 178.0970 37 T 3.9946 8.2082 107.6106 62.3969 69.3648 175.9028 38 G 3.8516 7.9115 108.8766 45.2591 0.0000 172.1077 39 C 4.8804 8.0166 121.0228 57.1852 34.0315 173.0874 40 K 4.4834 9.1158 127.3591 55.5531 32.8233 175.2716 41 I 4.4152 8.2025 127.4958 61.1542 38.4044 174.2327 42 M 4.5492 8.9532 128.6211 53.3802 33.6547 175.3892 43 V 4.1647 8.2502 122.8785 62.5064 32.2997 175.6046 44 R 3.7375 8.8362 128.0704 55.1654 32.9476 176.4787 45 G 4.0706 8.3859 106.0417 44.0955 0.0000 171.9285 46 K 4.3969 8.2658 118.9789 58.4229 32.6858 176.0369 47 G 4.0769 9.0831 113.3904 45.5689 0.0000 174.4885 48 S 4.1524 8.1072 114.7340 60.8233 62.6966 176.2858 49 M 4.6705 7.0759 119.0277 54.6752 32.7274 177.8820 50 R 4.4860 8.0863 114.3509 56.8932 30.0870 175.8071 51 D 4.6436 9.0471 117.8405 53.5136 41.5634 177.8763 52 K 4.0714 8.8533 123.0674 59.4405 32.0504 179.8020 53 K 4.3225 8.0026 120.0169 59.4264 32.4308 179.3062 54 K 4.1685 8.0551 119.4961 59.2445 31.9899 178.9531 55 E 3.3714 8.4248 116.5244 58.5636 29.1115 178.8837 56 E 4.0568 7.9726 120.2391 58.8861 29.5216 178.1847 57 Q 4.3955 8.2989 116.6191 57.4681 29.4988 176.2720 58 N 4.8964 8.0610 117.5200 53.0707 39.0781 174.7237 59 R 3.9270 7.3467 112.3572 57.9166 29.7126 177.4419 60 G 4.0240 8.9577 106.7447 45.7504 0.0000 173.8681 61 K 4.4811 8.0276 118.5481 54.8512 33.6672 176.7166 62 P 4.8379 0.0000 0.0000 66.6776 31.7255 178.5212 63 N 3.7957 7.7046 115.1239 55.0796 37.5793 176.0552 64 W 4.6461 7.8800 118.7007 57.9336 30.2832 178.1156 65 E 3.9454 8.2558 119.6383 59.2676 29.1620 177.6486 66 H 4.8115 8.0991 111.9772 55.2091 29.1636 176.4570 67 L 4.7693 7.8495 122.1139 57.4694 41.9769 177.1873 68 N 4.6707 8.1100 113.4357 53.2440 38.1825 174.7239 69 E 4.4567 8.0349 120.1157 55.5101 30.9133 174.6472 70 D 4.8946 8.4961 119.2157 52.9906 42.2800 175.2696 71 L 4.3298 8.5840 127.4376 56.3468 43.0221 175.3703 72 H 4.8056 9.1914 120.9977 54.2354 32.6679 172.4902 73 V 4.4340 8.5664 113.5627 59.6798 33.6171 174.7044 74 L 5.1068 8.5587 128.0910 52.9670 44.9578 175.2956 75 I 4.3203 8.4056 121.0069 60.8250 38.8791 175.3163 76 T 4.6259 8.4444 126.0453 61.9098 70.0551 174.3073 77 V 4.5113 8.7973 128.0857 60.0142 33.6736 175.0599 78 E 4.7360 8.7586 126.4424 54.6193 28.6764 175.1182 79 D 4.3532 7.8214 123.6828 54.2980 43.6395 176.1025 80 A 4.4823 8.3100 123.5027 52.1965 19.7876 177.9981 81 Q 4.1206 7.9702 117.0673 55.7192 29.7132 177.0525 82 N 4.6813 9.0736 124.6816 55.5971 38.5041 177.5576 83 R 3.9383 7.9860 116.4251 59.2432 29.6538 178.2251 84 A 4.0800 7.9147 121.1935 55.0840 18.0561 179.1502 85 E 3.8744 8.1222 115.4190 59.4433 29.4558 179.0986 86 L 3.9951 8.0281 121.2447 57.7628 41.9639 178.9766 87 K 3.9540 8.2109 120.0768 59.3661 32.1723 178.9089 88 L 4.0388 7.8494 119.9969 58.5353 40.4483 179.1518 89 K 3.9697 8.4363 120.4198 59.6470 32.3823 179.4644 90 R 3.8679 7.9121 116.8807 58.9347 29.3813 178.7679 91 A 3.9669 7.7874 121.9723 54.8572 18.4667 180.0830 92 V 3.6500 8.5053 117.9305 64.7954 31.4214 178.4455 93 E 4.1135 8.3749 119.6860 59.2707 29.0995 179.0403 94 E 4.0139 8.0774 118.6055 59.2717 29.3763 179.4926 95 V 3.6102 7.6172 118.1235 65.8523 31.3337 178.1410 96 K 3.4583 8.1559 117.8994 59.3776 31.8989 178.9869 97 K 4.1615 7.6632 117.3732 58.6713 32.2973 178.8717 98 L 4.3770 7.5669 119.9738 56.8922 41.5856 178.3678 99 L 4.6537 8.4260 116.6076 56.1123 40.4848 176.8454 100 V 3.7470 7.6270 120.4751 62.1330 31.9220 175.1042 101 P 2.0000 0.0000 0.0000 62.3966 29.3388 176.2803 102 A 3.9978 7.4888 122.3141 52.4805 18.7418 179.4379 103 A 4.3887 8.5470 123.5275 54.2981 18.7518 177.3025 104 E 4.8475 7.5792 110.6245 54.8990 32.9374 175.3055 105 G 4.2102 8.3715 106.3596 44.4937 0.0000 172.5852 106 E 4.4475 7.7793 116.8352 56.2998 32.3961 172.8969 107 D 4.8120 9.0790 121.5471 56.1762 40.8462 176.4377 108 S 4.2888 7.8236 112.0322 61.3139 62.1852 175.8777 109 L 4.0364 7.9238 121.4022 57.4385 41.3513 179.0323 110 K 4.0209 7.7823 118.7763 59.0656 32.3998 178.8543 111 K 4.0303 8.5280 119.2134 59.6914 31.8268 179.2576 112 M 4.1244 8.6123 119.2527 57.8045 31.6478 178.6958 113 K 3.9729 7.4591 118.9915 59.3286 32.4092 178.0699 114 L 4.1609 7.8353 120.1914 56.9863 42.4542 177.6076 115 M 4.2761 8.5304 117.2290 57.7595 32.8207 178.1366 116 E 4.1126 8.0344 115.6757 58.1409 30.0030 177.8219 117 L 4.0594 7.6031 120.9712 57.5950 42.2224 177.0629 118 A 4.5882 7.7751 120.8442 50.5308 18.7523 175.4523 119 I 3.6996 7.3741 121.5043 63.0565 38.1819 176.1261 120 L 4.2404 7.5499 122.0655 55.4325 41.3921 175.9671 121 N 4.6768 8.6384 119.5123 51.7108 38.3747 175.0376 122 G 3.7669 8.7799 106.5674 49.2556 0.0000 175.9623 123 T 4.0181 8.6217 116.1364 65.7147 68.7280 174.2689 124 Y 4.3348 7.2829 115.1035 59.4513 39.6424 175.2896 125 R 4.1166 8.6619 122.3809 57.9080 30.4919 177.4084 126 D 4.4894 7.7425 115.5534 56.3595 41.6136 177.7827 127 A 4.1108 8.0760 120.5800 54.5384 18.1210 178.5855 128 N 4.3203 8.0492 115.2185 56.2822 39.0823 176.2462 129 L 4.4648 7.7813 118.7273 55.3197 42.8160 177.5268 130 K 4.4409 7.5355 118.1603 55.7531 33.5723 173.8514 131 S 4.7768 7.9408 119.2453 55.5377 65.0491 173.0112 132 P 4.2375 0.0000 0.0000 65.0959 31.8218 177.5725 133 A 4.5459 7.4951 121.1968 51.0449 17.3309 175.9880 134 L 3.9622 7.0860 126.5500 57.3790 43.1518 178.4599 *135 H 4.5315 7.8389 120.4378 54.8987 28.6094 175.3384 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 Q 8.34 4.37 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.63 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 2 L 8.59 4.64 0.00 1.75 1.63 0.92 0.59 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 3 Q 9.49 5.08 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.51 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 4 E 8.94 4.63 0.00 1.89 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 2.20 2.24 0.00 5 K 8.74 4.68 0.00 1.59 1.54 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.50 7.81 6 L 9.15 4.49 0.00 1.55 1.59 0.89 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.47 4.25 0.00 2.81 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 8 V 7.90 4.19 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 0.22 0.00 0.00 0.41 0.00 0.00 9 P 0.00 4.78 0.00 2.41 2.36 0.00 3.84 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 2.47 2.17 0.00 10 V 9.17 4.14 2.33 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 1.20 0.00 0.00 1.12 0.00 0.00 11 K 8.19 4.20 0.00 1.82 1.96 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.51 1.86 7.81 12 E 8.36 4.16 0.00 2.17 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 2.37 2.49 0.00 13 Y 7.58 4.77 0.00 3.20 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.42 0.00 2.21 2.22 0.00 3.84 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 15 D 8.09 4.51 0.00 2.76 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 16 F 7.51 4.36 0.00 2.87 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 7.74 4.41 0.00 2.85 2.84 0.00 0.00 5.84 7.82 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 18 F 8.17 4.16 0.00 3.13 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 19 V 7.84 3.66 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 1.02 0.00 0.00 0.98 0.00 0.00 20 G 7.91 3.58 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 0.00 0.00 0.00 21 R 7.64 3.89 0.00 1.34 1.97 0.00 3.71 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.80 0.00 22 I 8.16 4.08 1.97 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 1.89 1.00 0.90 0.00 0.00 23 L 7.84 4.71 0.00 1.81 1.85 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.64 3.78 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 0.00 25 P 0.00 4.44 0.00 2.17 2.17 0.00 3.70 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 1.94 1.95 0.00 26 R 7.80 4.55 0.00 2.08 1.93 0.00 3.15 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 27 G 8.05 3.77 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 0.00 0.00 0.00 28 L 8.03 3.99 0.00 1.69 1.74 0.91 0.65 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 29 T 8.17 3.81 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 1.29 0.00 0.00 30 A 7.87 4.02 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 31 K 7.92 4.08 0.00 1.80 1.88 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.46 7.81 32 Q 8.32 4.01 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.57 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 33 L 8.37 4.00 0.00 1.91 1.70 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.32 4.75 0.00 2.16 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 2.47 2.20 0.00 35 A 7.97 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.35 4.25 0.00 2.00 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 2.29 2.37 0.00 37 T 8.21 3.99 4.30 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 1.24 0.00 0.00 38 G 7.91 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.02 4.88 0.00 2.99 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 40 K 9.12 4.48 0.00 1.80 1.95 0.00 1.33 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.43 7.81 41 I 8.20 4.42 1.84 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 1.35 0.78 0.88 0.00 0.00 42 M 8.95 4.55 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 43 V 8.25 4.16 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 0.81 0.00 0.00 0.87 0.00 0.00 44 R 8.84 3.74 0.00 0.91 1.70 0.00 3.12 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.28 0.00 45 G 8.39 4.07 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 0.00 46 K 8.27 4.40 0.00 1.97 2.10 0.00 1.64 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.51 7.81 47 G 9.08 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 48 S 8.11 4.15 0.00 3.91 3.77 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 49 M 7.08 4.67 0.00 1.82 1.55 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 50 R 8.09 4.49 0.00 1.81 1.99 0.00 3.60 0.00 0.00 3.57 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 51 D 9.05 4.64 0.00 2.76 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 52 K 8.85 4.07 0.00 1.79 1.87 0.00 1.69 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.46 7.81 53 K 8.00 4.32 0.00 2.01 2.10 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.45 7.81 54 K 8.06 4.17 0.00 2.36 2.31 0.00 1.89 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.60 1.57 7.81 55 E 8.42 3.37 0.00 1.44 1.14 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 2.43 2.37 0.00 56 E 7.97 4.06 0.00 2.19 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 2.28 2.57 0.00 57 Q 8.30 4.40 0.00 2.27 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.96 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 58 N 8.06 4.90 0.00 2.87 3.14 0.00 0.00 6.97 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 7.35 3.93 0.00 1.78 1.86 0.00 3.13 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.59 0.00 60 G 8.96 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 61 K 8.03 4.48 0.00 2.04 1.72 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.80 1.68 7.81 62 P 0.00 4.84 0.00 2.06 1.99 0.00 3.85 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 63 N 7.70 3.80 0.00 1.57 2.39 0.00 0.00 5.72 8.89 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 64 W 7.88 4.65 0.00 3.41 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 65 E 8.26 3.95 0.00 2.00 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 2.39 2.34 0.00 66 H 8.10 4.81 0.00 3.52 3.50 0.00 5.34 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.85 4.77 0.00 2.08 2.11 1.14 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 68 N 8.11 4.67 0.00 2.91 2.98 0.00 0.00 6.15 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.03 4.46 0.00 2.24 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 2.41 2.38 0.00 70 D 8.50 4.89 0.00 2.80 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 71 L 8.58 4.33 0.00 1.89 1.69 0.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 72 H 9.19 4.81 0.00 2.69 2.36 0.00 5.29 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.57 4.43 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 0.78 0.00 0.00 0.90 0.00 0.00 74 L 8.56 5.11 0.00 1.71 1.52 0.93 0.67 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 75 I 8.41 4.32 1.85 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 1.21 0.54 0.94 0.00 0.00 76 T 8.44 4.63 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 1.21 0.00 0.00 77 V 8.80 4.51 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 0.72 0.00 0.00 0.98 0.00 0.00 78 E 8.76 4.74 0.00 1.86 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 0.00 2.25 2.29 0.00 79 D 7.82 4.35 0.00 2.64 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 80 A 8.31 4.48 1.27 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 0.00 0.00 81 Q 7.97 4.12 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.72 0.00 82 N 9.07 4.68 0.00 2.76 2.86 0.00 0.00 7.64 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 83 R 7.99 3.94 0.00 1.96 2.07 0.00 3.04 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 84 A 7.91 4.08 1.42 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 0.00 0.00 0.00 85 E 8.12 3.87 0.00 2.15 2.23 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 2.36 2.32 0.00 86 L 8.03 4.00 0.00 1.90 1.86 0.92 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.21 3.95 0.00 1.99 1.90 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.44 7.81 88 L 7.85 4.04 0.00 1.90 1.90 0.91 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.44 3.97 0.00 2.02 2.15 0.00 1.23 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.70 7.81 90 R 7.91 3.87 0.00 2.03 2.22 0.00 2.77 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.65 0.00 91 A 7.79 3.97 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 92 V 8.51 3.65 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 0.90 0.00 0.00 0.90 0.00 0.00 93 E 8.37 4.11 0.00 2.26 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 2.32 2.59 0.00 94 E 8.08 4.01 0.00 2.16 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 2.33 2.48 0.00 95 V 7.62 3.61 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 0.97 0.00 0.00 96 K 8.16 3.46 0.00 1.89 1.85 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.68 7.81 97 K 7.66 4.16 0.00 1.91 1.87 0.00 1.63 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.51 7.81 98 L 7.57 4.38 0.00 1.77 1.76 0.94 0.47 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 99 L 8.43 4.65 0.00 1.52 1.77 0.97 0.85 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 0.00 100 V 7.63 3.75 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 1.00 0.00 0.00 0.97 0.00 0.00 101 P 0.00 2.00 0.00 1.95 1.35 0.00 3.64 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.99 0.00 102 A 7.49 4.00 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 0.00 103 A 8.55 4.39 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 0.00 104 E 7.58 4.85 0.00 2.03 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 0.00 2.41 2.38 0.00 105 G 8.37 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 0.00 0.00 0.00 0.00 106 E 7.78 4.45 0.00 2.04 1.94 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 2.19 2.30 0.00 107 D 9.08 4.81 0.00 2.95 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 7.82 4.29 0.00 3.92 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 7.92 4.04 0.00 1.73 1.71 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 110 K 7.78 4.02 0.00 1.82 1.92 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.52 7.81 111 K 8.53 4.03 0.00 1.75 1.83 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.72 1.72 7.81 112 M 8.61 4.12 0.00 2.00 2.22 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 2.69 2.53 0.00 113 K 7.46 3.97 0.00 2.08 1.94 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.59 7.81 114 L 7.84 4.16 0.00 1.75 1.67 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 115 M 8.53 4.28 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 116 E 8.03 4.11 0.00 2.02 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 2.42 2.22 0.00 117 L 7.60 4.06 0.00 1.75 1.71 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.78 4.59 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 0.00 119 I 7.37 3.70 1.80 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 1.41 0.64 0.75 0.00 0.00 120 L 7.55 4.24 0.00 1.81 1.67 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 121 N 8.64 4.68 0.00 2.97 3.01 0.00 0.00 6.47 7.71 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 0.00 122 G 8.78 3.77 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 0.00 0.00 0.00 123 T 8.62 4.02 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 0.75 0.00 0.00 124 Y 7.28 4.33 0.00 2.96 2.95 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 0.00 0.00 0.00 0.00 125 R 8.66 4.12 0.00 1.97 1.99 0.00 3.27 0.00 0.00 3.12 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 126 D 7.74 4.49 0.00 2.86 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 0.00 127 A 8.08 4.11 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 0.00 128 N 8.05 4.32 0.00 2.79 2.95 0.00 0.00 7.20 7.20 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 0.00 129 L 7.78 4.46 0.00 1.77 1.70 0.99 0.65 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 0.00 130 K 7.54 4.44 0.00 1.70 1.66 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.38 7.81 131 S 7.94 4.78 0.00 3.85 3.70 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 0.00 132 P 0.00 4.24 0.00 2.00 2.08 0.00 3.58 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 1.96 2.03 0.00 133 A 7.50 4.55 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 134 L 7.09 3.96 0.00 1.64 1.64 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 *135 H 7.84 4.53 0.00 2.67 2.88 0.00 5.87 0.00 0.00 0.00 0.00 6.91 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.