NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5804 8.3649 120.5282 54.0949 42.1544 174.4734 2 I 3.9938 8.3312 125.6231 59.6804 38.3357 173.3268 3 L 4.5973 9.3827 130.7903 53.7730 44.2782 174.4661 4 M 4.8973 8.6510 126.0283 54.4017 34.0391 175.0245 5 T 4.6997 9.2917 122.1752 62.0851 70.3246 173.5705 6 Q 5.1232 8.7232 128.1728 55.2786 31.0160 174.9950 7 T 4.8346 9.1273 122.2027 61.6639 73.1074 172.0330 8 P 5.0252 0.0000 0.0000 61.6066 33.2646 175.8945 9 S 4.7464 8.6107 113.7633 59.7463 64.3969 173.9814 10 S 4.9084 8.0022 114.0633 56.2397 65.0063 173.7439 11 L 4.6256 9.0915 128.5569 52.7320 43.7965 172.8421 12 P 4.9859 0.0000 0.0000 62.2188 32.2956 176.0265 13 V 4.5579 8.9616 122.3542 60.6436 35.3755 173.5843 14 S 5.0072 8.4575 117.5469 56.5839 65.3373 173.9257 15 L 4.1052 8.4061 122.7416 56.5253 42.0943 178.0681 16 G 3.9084 9.3112 111.0278 45.4692 0.0000 173.2997 17 D 4.9398 7.6877 119.8275 53.7971 43.0230 174.5824 18 Q 5.0039 8.4519 120.2094 54.5399 30.7544 174.3669 19 A 4.7606 8.8273 128.3800 50.3400 22.1000 175.5293 20 S 4.7796 8.3142 114.3006 56.8406 65.2699 173.0240 21 I 4.5733 8.7171 128.5469 59.6599 39.7695 175.0154 22 S 5.5456 9.3510 122.0331 57.2319 66.3165 172.3833 23 C 5.5572 9.3869 121.7376 55.3009 42.4466 172.6836 24 R 5.9837 9.4608 125.4696 53.6004 33.3412 173.7689 25 S 5.3090 8.7420 120.5306 56.8308 64.9026 175.1794 26 S 4.3287 8.7892 117.8689 61.2492 63.0678 174.0056 27 Q 4.3945 7.5472 115.8521 55.1194 31.3095 173.4398 *30 S 4.5075 8.3199 112.8583 58.4980 63.1118 173.4769 31 I 4.4963 8.1596 120.1244 60.4942 37.6842 175.4981 32 V 3.8229 7.6047 121.4660 63.3865 31.5067 175.4282 33 H 4.6150 9.1807 128.0702 55.3782 30.5156 176.1843 34 S 4.2163 8.2453 118.1844 60.8071 63.1612 174.7763 35 N 4.5665 8.2728 118.0490 53.9118 37.4872 176.6984 *37 G 4.1845 7.7599 106.7230 45.5257 0.0000 172.9438 38 N 4.5603 8.9690 117.9106 52.9193 40.7520 174.7902 39 T 4.6889 7.7773 116.1016 61.2118 71.3130 174.5469 40 Y 4.3073 8.0390 130.1869 57.1406 36.2270 175.4954 41 L 4.6562 7.3028 122.3565 53.6842 44.4553 175.8219 42 E 5.1815 9.3600 125.2972 54.2867 33.8141 174.7019 43 W 5.3175 9.0124 122.1970 55.2436 32.2842 174.3558 44 Y 5.3281 9.8586 121.9506 56.0615 41.5664 174.2844 45 L 4.7713 8.9256 124.0240 53.1667 45.1979 174.7496 46 Q 4.8672 9.2048 127.6882 54.2697 31.7604 174.4571 47 K 4.7323 8.5880 126.0541 54.3489 34.2086 174.6812 48 P 4.3526 0.0000 0.0000 64.7362 31.2187 176.9659 49 G 3.8921 8.9548 109.2148 45.6514 0.0000 172.4993 50 Q 4.6025 7.7289 117.6184 53.9160 31.5413 175.0318 51 S 4.5327 8.0951 114.7599 57.0421 64.0738 172.7023 52 P 4.6522 0.0000 0.0000 62.6708 32.0213 176.1076 53 K 4.7115 8.8128 121.6292 54.2440 35.5854 175.4334 54 L 3.7133 8.5480 126.7023 55.3770 42.3785 175.2842 55 L 4.6641 8.9903 124.9438 55.8815 44.5612 176.4646 56 I 5.4237 7.6816 118.2853 59.6442 41.4152 173.9259 57 Y 5.0845 8.4401 123.0223 55.0656 41.9423 174.7890 58 K 4.5678 7.7881 115.5117 56.6115 30.5229 176.9451 *67 V 4.2062 7.7114 118.6459 62.5825 33.1412 176.0203 68 S 4.8106 7.5816 108.0239 57.5239 64.6933 173.4131 69 N 4.3662 8.1218 120.1001 53.2720 39.3438 174.2527 70 R 4.8288 8.3546 122.7367 54.9300 31.4804 176.3286 71 F 4.7857 9.2287 126.6092 57.9364 40.9745 174.3312 72 S 3.9726 7.5508 118.8845 60.5490 62.1576 173.8994 73 G 4.0033 8.8522 116.0401 45.5185 0.0000 173.4213 74 V 4.0067 7.6950 120.5491 61.0068 32.3687 174.0292 75 P 4.5030 0.0000 0.0000 62.7995 31.7894 176.6815 76 D 4.6611 8.6277 117.6223 54.4669 39.2202 177.3826 77 R 4.0114 7.9447 121.6636 59.2482 31.2918 176.4894 78 F 4.8708 8.1575 118.1554 56.7403 39.9912 175.7712 79 S 4.5689 9.1973 118.2645 56.5891 65.5739 172.6507 80 G 4.6355 9.0596 114.0928 44.1431 0.0000 172.3112 81 S 4.7217 9.2156 116.7808 57.0864 67.2911 172.1618 82 G 4.4032 8.3500 105.4660 44.0601 0.0000 172.7221 83 S 4.3947 8.7451 111.3715 58.4633 65.6018 174.1659 84 G 3.9957 7.8780 114.5456 46.9623 0.0000 174.3292 *87 T 5.0153 7.5387 108.0714 60.4380 72.1688 173.0951 88 D 5.1371 7.5858 123.4824 52.6516 43.4567 175.2539 89 F 5.5353 9.1240 121.3500 56.2250 44.0028 174.0153 90 T 5.3283 9.3897 117.2630 61.9329 73.2231 172.5107 91 L 4.6959 8.5899 127.5637 52.9022 44.6267 175.0314 92 K 4.8843 8.9103 125.5880 54.5259 35.6381 175.1023 93 I 4.5837 8.6192 126.1589 59.4257 39.3240 174.9244 94 S 4.4824 8.3660 122.5791 58.0225 64.3445 174.6660 95 R 4.2209 8.4217 117.2519 55.7476 27.0910 175.9256 96 V 3.7388 8.5738 119.4831 62.8928 32.7638 174.8260 97 E 4.9657 9.3866 124.6573 53.9082 32.8468 176.9777 98 A 4.0481 8.5598 122.7067 55.5639 18.4988 179.9896 99 E 4.1574 8.1409 113.8677 59.1178 29.7151 177.8368 100 D 4.8239 8.1065 117.7709 55.9711 41.3094 176.9842 101 L 4.3368 7.7770 120.0974 53.5625 42.2918 177.8056 102 G 3.8156 7.3938 109.3912 45.7791 0.0000 169.9444 103 V 4.7508 7.7481 120.2360 61.5724 33.4768 175.5900 104 Y 5.2123 9.2331 126.0031 57.0055 40.2362 174.3138 105 Y 5.5509 9.6810 120.8124 56.5638 42.3559 172.3839 106 C 4.7720 9.1531 117.4587 54.2877 40.3887 172.0647 107 F 5.2266 8.5780 121.2532 56.8422 43.0306 172.6543 108 Q 4.5656 7.8898 123.4243 53.6903 30.9450 176.0038 109 G 3.1831 8.4075 111.6147 45.8676 0.0000 174.3484 110 S 4.5381 8.3286 118.4208 59.8316 63.3378 174.7524 111 H 4.8336 8.5257 117.2438 53.7823 31.4630 172.7186 *135 V 3.6687 8.5192 122.6873 61.8554 32.2644 172.9098 136 P 4.1971 0.0000 0.0000 61.8462 32.3297 175.9444 137 F 4.6716 7.7092 119.9347 58.0449 39.7397 174.6398 138 T 4.8141 7.9274 111.3536 60.1703 72.3341 172.8826 139 F 5.3577 9.0856 121.2511 55.9602 41.7818 175.5222 140 G 4.2641 8.9898 109.1715 45.8368 0.0000 174.3663 141 S 4.4383 8.8072 113.9575 59.3783 63.5713 175.2845 142 G 3.6492 8.6684 108.0591 45.0898 0.0000 172.4730 143 T 4.7562 8.5337 116.3796 61.3830 72.3806 173.2879 144 K 4.5201 9.3820 129.6501 55.5435 33.2523 175.7300 145 L 4.9926 9.1571 132.7338 54.0101 42.5002 174.9709 146 E 5.0828 8.5774 124.2654 53.9685 33.1556 175.2285 147 I 4.4826 8.2390 121.0237 60.8818 38.9954 175.4026 148 K 4.2508 8.7259 128.7376 56.2132 32.7905 177.5230 149 R 4.1900 8.4998 122.4508 56.3790 30.2728 176.2264 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 D 8.36 4.58 0.00 2.66 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 2 I 8.33 3.99 1.86 0.00 0.00 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 1.25 0.62 0.92 0.00 0.00 3 L 9.38 4.60 0.00 1.73 1.54 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 4 M 8.65 4.90 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.45 0.00 5 T 9.29 4.70 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 1.26 0.00 0.00 6 Q 8.72 5.12 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.67 0.00 0.00 0.00 0.00 0.00 2.50 2.66 0.00 7 T 9.13 4.83 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 1.25 0.00 0.00 8 P 0.00 5.03 0.00 2.21 2.08 0.00 3.77 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 1.98 1.95 0.00 9 S 8.61 4.75 0.00 3.95 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 10 S 8.00 4.91 0.00 3.87 3.75 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 11 L 9.09 4.63 0.00 1.67 1.46 0.84 0.82 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 12 P 0.00 4.99 0.00 1.98 1.96 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 13 V 8.96 4.56 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.90 0.00 0.00 14 S 8.46 5.01 0.00 4.00 3.79 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 15 L 8.41 4.11 0.00 1.63 1.61 0.93 1.04 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 16 G 9.31 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 0.00 0.00 0.00 17 D 7.69 4.94 0.00 2.85 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 18 Q 8.45 5.00 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.77 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 19 A 8.83 4.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.31 4.78 0.00 3.74 3.64 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 21 I 8.72 4.57 1.51 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.36 1.11 0.00 0.00 22 S 9.35 5.55 0.00 3.91 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 C 9.39 5.56 0.00 3.18 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 24 R 9.46 5.98 0.00 1.94 1.75 0.00 3.20 0.00 0.00 3.33 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 25 S 8.74 5.31 0.00 4.06 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 26 S 8.79 4.33 0.00 3.92 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 27 Q 7.55 4.39 0.00 2.31 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.43 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 *30 S 8.32 4.51 0.00 3.92 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 31 I 8.16 4.50 1.83 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.91 0.98 0.00 0.00 32 V 7.60 3.82 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.00 0.00 0.00 33 H 9.18 4.62 0.00 3.39 3.43 0.00 5.64 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.25 4.22 0.00 4.03 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 35 N 8.27 4.57 0.00 3.06 3.23 0.00 0.00 6.64 6.91 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 *37 G 7.76 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.97 4.56 0.00 2.22 1.86 0.00 0.00 6.58 7.14 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 39 T 7.78 4.69 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 1.25 0.00 0.00 40 Y 8.04 4.31 0.00 2.83 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 L 7.30 4.66 0.00 0.86 1.03 0.10 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 42 E 9.36 5.18 0.00 1.99 1.52 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 2.26 2.34 0.00 43 W 9.01 5.32 0.00 3.24 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 9.86 5.33 0.00 3.03 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 45 L 8.93 4.77 0.00 1.20 1.28 0.19 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 9.20 4.87 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.67 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 47 K 8.59 4.73 0.00 1.75 1.70 0.00 1.90 0.00 0.00 1.88 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.50 1.41 7.81 48 P 0.00 4.35 0.00 2.18 2.10 0.00 3.84 0.00 0.00 3.68 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 49 G 8.95 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 0.00 0.00 0.00 50 Q 7.73 4.60 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 51 S 8.10 4.53 0.00 3.81 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 52 P 0.00 4.65 0.00 1.60 1.80 0.00 3.43 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 53 K 8.81 4.71 0.00 1.67 1.67 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.50 7.81 54 L 8.55 3.71 0.00 1.35 0.90 0.31 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.99 4.66 0.00 1.72 1.50 0.80 0.14 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 56 I 7.68 5.42 2.25 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 1.51 1.04 1.11 0.00 0.00 57 Y 8.44 5.08 0.00 2.95 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 58 K 7.79 4.57 0.00 1.83 1.74 0.00 1.80 0.00 0.00 1.42 0.00 0.00 2.79 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.05 1.38 7.81 *67 V 7.71 4.21 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 1.22 0.00 0.00 0.96 0.00 0.00 68 S 7.58 4.81 0.00 3.84 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 69 N 8.12 4.37 0.00 1.44 1.70 0.00 0.00 6.93 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.35 4.83 0.00 1.74 1.94 0.00 3.26 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 71 F 9.23 4.79 0.00 3.19 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 72 S 7.55 3.97 0.00 3.46 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 73 G 8.85 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 74 V 7.70 4.01 2.24 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 0.79 0.00 0.00 1.03 0.00 0.00 75 P 0.00 4.50 0.00 2.34 2.26 0.00 3.97 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.21 0.00 76 D 8.63 4.66 0.00 2.80 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 R 7.94 4.01 0.00 1.39 1.90 0.00 3.00 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 78 F 8.16 4.87 0.00 3.11 2.98 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 79 S 9.20 4.57 0.00 3.82 3.60 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 0.00 80 G 9.06 4.64 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 0.00 0.00 0.00 81 S 9.22 4.72 0.00 3.91 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 82 G 8.35 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.75 4.39 0.00 3.74 3.55 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 0.00 0.00 0.00 0.00 84 G 7.88 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 *87 T 7.54 5.02 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 88 D 7.59 5.14 0.00 2.44 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 9.12 5.54 0.00 3.13 3.16 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 90 T 9.39 5.33 4.29 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 1.20 0.00 0.00 91 L 8.59 4.70 0.00 0.27 0.13 0.61 -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 0.00 0.00 0.00 0.00 92 K 8.91 4.88 0.00 1.58 1.54 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.23 1.27 7.81 93 I 8.62 4.58 1.62 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 1.13 0.55 0.31 0.00 0.00 94 S 8.37 4.48 0.00 3.81 3.75 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 95 R 8.42 4.22 0.00 1.84 1.91 0.00 3.22 0.00 0.00 3.75 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 96 V 8.57 3.74 2.04 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 0.98 0.00 0.00 0.92 0.00 0.00 97 E 9.39 4.97 0.00 2.12 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 2.20 2.18 0.00 98 A 8.56 4.05 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 99 E 8.14 4.16 0.00 2.06 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 0.00 2.36 2.38 0.00 100 D 8.11 4.82 0.00 2.91 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.78 4.34 0.00 1.81 1.68 0.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 102 G 7.39 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 103 V 7.75 4.75 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 0.45 0.00 0.00 0.95 0.00 0.00 104 Y 9.23 5.21 0.00 3.04 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 0.00 105 Y 9.68 5.55 0.00 3.07 3.07 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 0.00 106 C 9.15 4.77 0.00 2.11 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 0.00 107 F 8.58 5.23 0.00 2.80 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 Q 7.89 4.57 0.00 1.93 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.65 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 109 G 8.41 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 8.33 4.54 0.00 3.89 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 0.00 111 H 8.53 4.83 0.00 3.18 3.15 0.00 5.65 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *135 V 8.52 3.67 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 0.63 0.00 0.00 0.53 0.00 0.00 136 P 0.00 4.20 0.00 2.14 1.91 0.00 3.77 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 1.92 1.93 0.00 137 F 7.71 4.67 0.00 2.95 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 T 7.93 4.81 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 0.00 139 F 9.09 5.36 0.00 2.91 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 0.00 140 G 8.99 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 0.00 0.00 0.00 0.00 141 S 8.81 4.44 0.00 4.08 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 0.00 142 G 8.67 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.53 4.76 4.37 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 1.26 0.00 0.00 144 K 9.38 4.52 0.00 1.85 1.85 0.00 1.54 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.46 7.81 145 L 9.16 4.99 0.00 1.92 1.97 1.01 0.99 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 0.00 146 E 8.58 5.08 0.00 2.02 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 2.19 2.23 0.00 147 I 8.24 4.48 1.89 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 1.35 0.70 0.92 0.00 0.00 148 K 8.73 4.25 0.00 1.68 1.73 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.55 7.81 149 R 8.50 4.19 0.00 1.79 1.83 0.00 3.24 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.