NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 A 4.3268 8.2644 123.5875 51.8902 19.9629 176.3299 24 S 4.2147 8.4724 116.4443 57.1961 63.0583 172.3796 25 I 4.0447 8.3485 125.2908 61.8367 39.1813 175.7112 26 V 3.4699 7.6547 120.8573 62.0333 31.5539 175.7320 27 G 3.7449 7.7333 114.1142 44.3583 0.0000 170.4985 28 S 4.5832 7.3716 114.5759 56.4336 63.9098 172.5995 29 W 5.2725 9.0527 128.3106 55.0491 31.3378 175.5537 30 V 5.3534 9.1083 117.6659 59.5897 35.7385 174.4284 31 E 5.1181 9.5867 120.7106 53.6153 33.2846 173.3587 32 P 4.8576 0.0000 0.0000 62.5043 32.5525 176.4735 33 V 3.8472 8.7684 124.3703 61.7555 32.5210 173.8539 34 P 4.4132 0.0000 0.0000 64.4253 31.5099 176.8438 35 G 3.9719 9.1903 111.2749 45.3046 0.0000 173.4657 36 L 4.5702 7.7168 119.5650 51.7362 42.3094 174.3294 37 E 4.0592 8.4687 122.8527 57.6571 29.9532 177.5504 38 G 3.9877 9.0063 113.9097 45.3790 0.0000 172.8244 39 Q 4.7528 7.8119 118.7483 54.5164 31.3394 175.0334 40 V 5.2346 8.1677 113.6973 60.0709 36.1343 174.5687 41 Q 4.7493 8.6080 118.6779 54.7267 32.0983 174.4999 42 G 4.5308 8.5370 109.8750 46.2537 0.0000 172.4722 43 I 5.0214 8.2752 123.5180 59.3468 42.0175 174.5224 44 K 4.9489 8.7817 129.7134 53.9257 35.6164 174.2426 *46 E 4.5177 8.3936 119.1224 55.7366 31.1594 175.8693 47 E 4.3200 8.9019 121.0891 58.6436 29.9530 177.9403 48 G 3.8334 8.5690 111.1601 44.7560 0.0000 174.2546 49 G 3.0165 7.9898 107.3239 44.3633 0.0000 173.5979 50 V 4.3264 7.5298 119.3994 62.7907 31.9327 174.8997 51 A 5.3940 8.9880 127.9015 50.5508 23.0247 174.8782 52 S 5.0460 8.8306 112.5195 56.6654 66.8836 173.7523 53 S 4.9240 8.8529 117.4695 58.5645 64.0146 173.8401 54 V 4.1315 8.6732 123.2551 61.7672 33.6304 173.4889 55 N 4.0260 9.0549 124.6787 54.2207 36.5474 172.8143 *57 A 4.4021 8.2565 126.9033 51.3458 20.6796 176.9917 58 T 4.5985 7.7351 102.9115 61.1085 71.0105 173.6370 59 L 4.8588 7.8299 122.2084 52.9577 44.4444 176.2713 60 V 4.2611 8.9134 124.8218 61.1880 32.5645 173.9867 61 Y 4.7597 8.9965 126.2042 58.1788 38.7385 176.4953 62 E 4.7796 9.9933 120.4009 55.7434 33.4524 175.5304 63 S 5.3636 7.8900 111.9296 57.0750 66.4762 173.3038 64 W 5.8029 8.5873 117.1323 55.0818 31.3298 174.3656 65 K 4.3257 9.1098 121.8046 55.1425 35.6513 174.1249 66 Q 5.1243 8.7623 127.7915 54.5390 30.9969 174.5635 67 E 4.5310 8.9370 125.5420 55.1852 32.7014 176.1953 68 G 3.9882 8.3300 116.1385 47.3598 0.0000 173.2524 69 T 4.4987 8.5166 114.3926 60.9968 69.0140 173.4663 70 K 4.8353 8.0691 121.7854 55.3834 34.6501 175.0919 71 L 5.0933 8.4002 124.4556 53.4528 45.0507 174.7631 72 I 4.8409 8.9817 127.8309 59.7077 39.4917 174.5534 73 L 5.3901 9.2849 127.5319 53.2810 44.7966 175.8270 74 T 4.5204 8.8167 119.0093 61.6030 72.7168 174.2917 75 G 3.6894 6.4134 110.4846 45.9199 0.0000 171.4772 76 K 5.2003 8.2285 119.8940 54.6492 35.6605 175.3701 77 S 5.0855 9.4778 119.1396 56.6037 64.9432 172.5379 78 I 4.8205 8.6152 128.7905 59.2111 38.6157 175.8754 79 G 4.1600 9.3265 117.7788 46.7698 0.0000 172.4010 80 N 4.2118 9.9441 118.0010 54.0425 36.2340 175.4960 81 G 3.9785 8.7550 103.6419 45.3153 0.0000 173.6384 82 Q 4.7532 8.1152 117.7428 54.1656 33.2519 174.9170 83 T 4.9464 8.4886 116.8600 62.0891 71.3786 173.0681 84 I 4.7122 8.5013 126.5168 58.5192 41.9920 174.1225 85 E 4.7115 8.8666 127.9829 56.2612 30.3251 175.7713 86 F 5.1790 9.2479 121.1154 55.0717 41.8233 174.1273 87 V 4.6530 8.5347 119.1623 61.6253 34.0917 173.9709 88 D 5.2481 9.7772 128.3662 52.9975 43.5534 175.7955 89 T 5.3019 8.3271 117.7498 60.9373 72.2605 173.1188 *91 D 4.4001 8.3386 121.2832 54.4265 42.7317 174.9536 92 I 4.2359 8.5841 124.7037 60.7215 37.0284 175.7738 93 K 4.2960 9.1045 128.1573 58.3030 33.1856 177.6826 94 R 4.6367 7.5409 118.2572 54.9246 33.8085 173.9876 95 L 4.9029 8.3691 127.3044 54.1855 43.4539 174.6501 96 T 4.7587 9.0711 116.8618 59.5248 71.9216 174.2955 97 A 4.3584 8.7781 122.9459 54.7725 18.6349 178.0897 98 D 4.9485 7.8841 114.0538 54.3943 43.2534 176.0743 99 S 5.5463 8.4031 114.3950 56.5859 67.4871 173.0846 100 L 4.7062 8.6948 124.1084 53.2210 45.0925 175.0529 101 V 4.7978 8.7334 126.6679 61.0923 33.9967 174.2690 102 L 5.2377 8.9284 127.5427 52.9243 45.3921 174.6788 103 D 5.0495 8.8060 121.2516 52.5925 43.2668 175.4399 104 N 4.7599 8.6461 124.0790 52.3375 39.3958 173.2301 105 Q 3.3085 9.7853 126.7752 56.6227 27.1359 174.9037 106 G 3.7926 7.8963 101.0227 45.8239 0.0000 173.5011 *108 E 4.2263 7.4634 117.5492 56.2262 31.4712 175.4761 109 I 4.2426 8.6379 127.4909 59.6115 39.8948 174.6939 110 R 4.7623 8.3453 126.7751 54.7764 31.5946 175.2840 111 Y 5.1588 9.1131 122.4199 56.3743 40.8931 174.7556 112 A 5.3773 9.1646 124.6111 50.0653 21.8552 176.1376 113 K 3.9302 9.1481 123.6220 56.1109 32.9410 175.9879 114 Q 4.5909 8.4791 130.5576 54.3242 31.7171 176.0806 115 K 4.0953 8.5165 125.7029 54.8987 31.7844 175.0625 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 23 A 8.26 4.33 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 24 S 8.47 4.21 0.00 3.97 3.81 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 25 I 8.35 4.04 1.75 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.60 0.33 0.00 0.00 26 V 7.65 3.47 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 0.80 0.00 0.00 1.16 0.00 0.00 27 G 7.73 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 28 S 7.37 4.58 0.00 3.75 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 29 W 9.05 5.27 0.00 2.80 2.42 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 30 V 9.11 5.35 2.18 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 0.79 0.00 0.00 1.00 0.00 0.00 31 E 9.59 5.12 0.00 1.86 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 2.42 2.28 0.00 32 P 0.00 4.86 0.00 1.96 2.03 0.00 3.65 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 33 V 8.77 3.85 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 0.95 0.00 0.00 1.04 0.00 0.00 34 P 0.00 4.41 0.00 2.07 1.99 0.00 3.76 0.00 0.00 3.83 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 35 G 9.19 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.72 4.57 0.00 1.69 1.58 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.47 4.06 0.00 1.92 1.88 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 2.30 2.33 0.00 38 G 9.01 3.99 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 0.00 39 Q 7.81 4.75 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 40 V 8.17 5.23 2.20 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 0.77 0.00 0.00 0.96 0.00 0.00 41 Q 8.61 4.75 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 42 G 8.54 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.28 5.02 1.42 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.02 0.48 0.00 0.00 44 K 8.78 4.95 0.00 1.80 1.66 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.16 7.81 *46 E 8.39 4.52 0.00 2.14 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 0.00 2.33 2.42 0.00 47 E 8.90 4.32 0.00 2.03 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 2.41 2.33 0.00 48 G 8.57 3.83 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 0.00 49 G 7.99 3.02 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 50 V 7.53 4.33 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 0.85 0.00 0.00 0.95 0.00 0.00 51 A 8.99 5.39 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 0.00 0.00 0.00 0.00 0.00 52 S 8.83 5.05 0.00 3.93 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 53 S 8.85 4.92 0.00 3.88 3.95 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 54 V 8.67 4.13 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 1.05 0.00 0.00 0.95 0.00 0.00 55 N 9.05 4.03 0.00 2.84 2.94 0.00 0.00 7.16 7.96 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 *57 A 8.26 4.40 1.31 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 0.00 0.00 58 T 7.74 4.60 4.35 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 1.18 0.00 0.00 59 L 7.83 4.86 0.00 1.19 0.97 0.61 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.91 4.26 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 1.10 0.00 0.00 0.95 0.00 0.00 61 Y 9.00 4.76 0.00 3.05 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 62 E 9.99 4.78 0.00 1.81 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 2.26 2.28 0.00 63 S 7.89 5.36 0.00 3.85 3.88 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 64 W 8.59 5.80 0.00 3.37 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 65 K 9.11 4.33 0.00 1.68 1.59 0.00 1.52 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.25 7.81 66 Q 8.76 5.12 0.00 2.37 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.63 0.00 0.00 0.00 0.00 0.00 2.44 2.58 0.00 67 E 8.94 4.53 0.00 2.03 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 2.22 0.00 68 G 8.33 3.99 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 0.00 69 T 8.52 4.50 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 70 K 8.07 4.84 0.00 1.80 1.77 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.53 7.81 71 L 8.40 5.09 0.00 1.73 1.50 1.11 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.98 4.84 1.91 0.00 0.00 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 1.39 0.87 0.94 0.00 0.00 73 L 9.28 5.39 0.00 1.84 1.84 0.83 0.50 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 74 T 8.82 4.52 4.15 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 1.05 0.00 0.00 75 G 6.41 3.69 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 0.00 0.00 0.00 76 K 8.23 5.20 0.00 1.71 1.74 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.51 7.81 77 S 9.48 5.09 0.00 3.68 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 78 I 8.62 4.82 1.85 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 1.17 0.72 0.90 0.00 0.00 79 G 9.33 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 0.00 0.00 0.00 80 N 9.94 4.21 0.00 2.84 2.88 0.00 0.00 7.13 7.65 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 81 G 8.76 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 82 Q 8.12 4.75 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 83 T 8.49 4.95 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 1.23 0.00 0.00 84 I 8.50 4.71 1.90 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 1.15 1.21 0.96 0.00 0.00 85 E 8.87 4.71 0.00 2.00 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 0.00 2.25 2.30 0.00 86 F 9.25 5.18 0.00 3.08 3.06 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 87 V 8.53 4.65 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 0.86 0.00 0.00 0.89 0.00 0.00 88 D 9.78 5.25 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 89 T 8.33 5.30 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 1.24 0.00 0.00 *91 D 8.34 4.40 0.00 2.62 2.62 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 0.00 0.00 0.00 0.00 92 I 8.58 4.24 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 1.15 0.56 0.81 0.00 0.00 93 K 9.10 4.30 0.00 1.67 1.82 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.49 7.81 94 R 7.54 4.64 0.00 1.81 1.65 0.00 3.13 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 95 L 8.37 4.90 0.00 1.49 1.44 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 96 T 9.07 4.76 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 1.23 0.00 0.00 97 A 8.78 4.36 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 98 D 7.88 4.95 0.00 2.87 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 99 S 8.40 5.55 0.00 3.80 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 0.00 100 L 8.69 4.71 0.00 0.27 0.48 0.53 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.73 4.80 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 0.85 0.00 0.00 0.89 0.00 0.00 102 L 8.93 5.24 0.00 1.58 1.51 1.03 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.81 5.05 0.00 2.62 2.51 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 0.00 104 N 8.65 4.76 0.00 2.69 2.69 0.00 0.00 7.30 7.08 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 0.00 105 Q 9.79 3.31 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.82 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 106 G 7.90 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 0.00 0.00 0.00 *108 E 7.46 4.23 0.00 1.98 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 2.12 2.30 0.00 109 I 8.64 4.24 1.67 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 1.12 0.61 0.17 0.00 0.00 110 R 8.35 4.76 0.00 1.85 1.81 0.00 3.30 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.20 0.00 111 Y 9.11 5.16 0.00 2.97 3.09 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 0.00 112 A 9.16 5.38 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 0.00 113 K 9.15 3.93 0.00 1.00 1.42 0.00 1.45 0.00 0.00 1.26 0.00 0.00 2.46 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.90 0.21 7.81 114 Q 8.48 4.59 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.75 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 115 K 8.52 4.10 0.00 1.82 1.57 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.36 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.