NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6345 8.2833 118.0760 53.1354 40.5726 172.5547 3 I 4.5592 7.9868 124.6777 59.3438 39.0361 173.3645 4 Y 4.7591 9.8900 125.6124 56.3875 42.1367 174.3595 5 T 5.1651 8.3541 118.6447 61.7568 72.0735 173.4937 6 F 4.3345 9.6891 124.2066 55.6451 42.2122 174.3706 7 D 5.0228 8.4589 124.8217 53.1065 40.6786 176.4551 8 F 4.1492 9.6100 125.6118 58.3873 38.9332 177.2955 9 D 4.5409 8.3221 120.9751 56.1966 40.7520 176.8463 10 E 4.5846 7.9397 116.2645 55.7234 30.3213 175.4895 11 I 4.4899 7.2605 120.0365 59.5048 39.3480 175.1597 12 E 4.8441 9.3221 123.6210 55.9095 31.4965 175.6567 13 S 4.9624 8.0141 111.7451 55.5913 66.5093 174.8353 14 Q 4.2676 8.6016 118.8932 59.0023 27.9110 178.6594 15 E 4.1457 8.2190 119.3853 59.5444 29.5276 178.9111 16 D 4.4040 8.1089 119.0298 57.1535 40.7869 178.4413 17 F 3.8626 7.7667 120.5074 61.4565 39.3801 176.4571 18 Y 4.5733 7.6446 116.2985 61.6450 37.6760 179.2508 19 R 3.9754 7.9212 118.7917 59.4926 30.2077 178.0745 20 D 4.2679 8.1393 117.9185 56.9669 41.1395 178.0279 21 F 4.1294 8.6966 121.6666 61.4436 39.5092 177.1861 22 S 4.2689 8.5992 115.0323 61.8661 62.4856 176.8127 23 Q 3.9818 8.3664 120.7742 59.4327 28.2495 179.1921 24 T 3.6533 7.8925 115.8424 65.6741 68.3526 175.8655 25 F 4.5374 7.6248 117.2829 55.7837 39.5345 175.8002 26 G 4.0252 7.5059 105.8440 46.4414 0.0000 174.3102 27 L 4.3336 8.1832 117.6524 53.1002 42.9026 177.0232 28 A 4.2499 8.7124 124.0013 52.1438 19.1517 178.9942 29 K 4.1259 6.8590 114.3309 56.8521 34.0174 174.9987 30 D 5.0713 8.0775 117.4217 53.6907 42.3485 178.0288 31 K 4.0155 7.8865 121.1666 58.4537 32.6812 176.5150 32 V 4.2036 7.3082 117.5971 61.5046 32.8805 174.2759 33 R 4.4544 8.9988 126.4249 56.0607 32.6260 175.0855 34 D 4.3626 6.9809 115.1443 50.5406 42.6855 175.5025 35 L 3.9565 8.6420 117.8250 58.4127 41.3858 179.5039 36 D 4.4092 8.0891 118.4020 57.3093 40.9292 178.7948 37 S 4.1505 8.5381 114.9762 60.9926 63.0930 176.4051 38 L 3.7799 7.7820 124.1668 57.6823 41.6227 178.6805 39 W 4.1939 8.2505 127.5549 60.4208 30.6656 177.3578 40 D 4.3203 8.0126 117.9273 57.5124 40.4336 178.6325 41 V 3.7020 7.2780 116.5048 65.7644 31.3813 176.8988 42 L 4.2051 6.9833 116.5289 55.0038 41.7990 176.9023 *44 N 4.4037 8.0345 114.6552 53.2016 39.8672 174.2800 45 D 4.7959 8.2060 113.6399 55.2029 39.8562 174.5724 46 V 3.7727 7.1492 118.4825 64.4879 31.8355 176.5509 47 L 4.1813 7.4453 118.1356 53.2602 42.8654 175.6296 48 P 4.7095 0.0000 0.0000 62.8333 29.1592 176.7842 49 L 4.4153 7.3622 118.4831 53.9654 42.9722 175.8465 50 P 4.9248 0.0000 0.0000 62.6493 32.3631 175.3126 51 L 5.1039 8.8807 122.2228 54.7627 44.8591 173.9002 52 E 5.2762 9.9120 119.7798 54.5488 33.1533 174.0631 53 I 5.1504 9.5131 127.8767 59.8994 39.7529 174.2082 54 E 5.0251 9.7444 127.5888 54.6998 32.0001 175.0414 55 F 5.8005 9.4779 124.6112 56.5307 40.5960 175.1734 56 V 4.5422 9.3035 124.3232 61.6111 34.8130 174.8739 57 H 4.1920 8.7111 119.9199 57.0056 25.8765 174.7024 58 L 4.4039 8.1573 121.3151 53.6443 42.7486 176.3074 59 G 4.0953 8.3350 113.0061 44.1562 0.0000 172.8778 60 E 3.5819 8.3702 115.7877 59.1835 29.5392 179.8736 61 K 3.9398 7.9529 118.2823 60.7944 33.0740 179.4898 62 T 3.9873 7.8899 116.7096 66.0556 68.2061 176.6458 63 R 3.9130 8.4913 119.7175 59.3350 30.5612 178.7340 64 R 4.0194 7.9487 118.2879 59.5130 29.8987 178.5515 65 R 3.8251 8.2002 117.6541 58.6628 30.1862 177.3367 66 F 4.8840 8.0790 116.5477 57.4670 39.5147 178.0696 67 G 3.7294 7.9951 108.9151 47.8031 0.0000 176.1949 68 A 3.9652 7.9388 122.4430 55.0639 18.4468 179.4664 69 L 3.9120 7.9574 117.0032 58.1794 41.8965 179.7742 70 I 3.8431 7.9783 119.7201 64.0939 37.0047 178.3775 71 L 3.9320 8.1356 121.5910 57.9049 41.9836 178.5444 72 L 3.6783 8.1106 120.6848 58.4244 42.0881 179.1599 73 F 4.0538 7.9348 117.4608 60.3431 38.4733 177.4946 74 D 4.5627 7.9605 118.4157 57.3373 40.5338 178.5736 75 E 4.0392 8.2956 119.0411 59.1798 29.3465 179.1824 76 A 4.1117 8.4147 121.1217 55.0024 18.5798 179.3417 77 E 4.0522 8.2888 117.7215 59.6037 29.5732 178.8206 78 E 4.1256 8.2719 117.5381 59.5898 29.6084 178.8946 79 E 4.2691 8.4144 117.5095 57.9219 29.7956 177.5908 80 L 4.4846 8.1642 119.6340 56.6239 44.0296 176.5562 81 E 3.7618 9.2370 113.8393 57.8559 26.0080 176.4904 82 G 4.0336 7.9891 105.7360 46.5368 0.0000 174.5108 83 H 4.2758 9.3915 118.1094 57.4764 28.9645 174.5092 84 L 5.3228 7.4012 121.9058 53.2053 43.9637 175.8062 85 R 5.3874 9.1983 125.4153 53.7285 32.9816 174.8202 86 F 5.4344 9.0263 125.0590 56.5874 42.0946 173.9179 87 N 4.6459 8.6345 122.5678 51.3321 42.9094 173.2964 88 V 4.0179 8.4247 122.8462 64.4259 32.8853 175.8261 89 R 2.7692 9.0867 123.0250 55.6455 33.6163 175.4720 90 H 4.6303 9.1761 113.9642 55.9261 29.2720 173.7414 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 N 8.28 4.63 0.00 2.83 2.54 0.00 0.00 6.89 6.44 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 3 I 7.99 4.56 1.72 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 1.25 0.12 0.94 0.00 0.00 4 Y 9.89 4.76 0.00 3.17 2.65 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 5 T 8.35 5.17 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 1.20 0.00 0.00 6 F 9.69 4.33 0.00 3.33 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 7 D 8.46 5.02 0.00 2.62 2.65 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 8 F 9.61 4.15 0.00 3.25 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 9 D 8.32 4.54 0.00 2.86 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 10 E 7.94 4.58 0.00 1.90 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 2.23 2.23 0.00 11 I 7.26 4.49 1.11 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.40 0.71 0.00 0.00 12 E 9.32 4.84 0.00 2.12 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 0.00 2.30 2.40 0.00 13 S 8.01 4.96 0.00 4.15 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 14 Q 8.60 4.27 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.93 0.00 0.00 0.00 0.00 0.00 2.62 2.43 0.00 15 E 8.22 4.15 0.00 2.05 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 2.46 2.41 0.00 16 D 8.11 4.40 0.00 2.99 2.71 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 17 F 7.77 3.86 0.00 2.96 2.93 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 0.00 0.00 0.00 18 Y 7.64 4.57 0.00 3.19 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 19 R 7.92 3.98 0.00 1.97 2.13 0.00 3.12 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 20 D 8.14 4.27 0.00 2.87 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 21 F 8.70 4.13 0.00 2.59 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 22 S 8.60 4.27 0.00 4.11 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 23 Q 8.37 3.98 0.00 2.33 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 24 T 7.89 3.65 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 0.14 0.00 0.00 25 F 7.62 4.54 0.00 2.71 2.84 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 26 G 7.51 4.03 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 0.00 0.00 0.00 27 L 8.18 4.33 0.00 1.68 1.67 1.12 0.80 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 28 A 8.71 4.25 1.28 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 0.00 0.00 29 K 6.86 4.13 0.00 1.77 1.62 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.54 7.81 30 D 8.08 5.07 0.00 2.71 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 31 K 7.89 4.02 0.00 1.69 1.89 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.43 7.81 32 V 7.31 4.20 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 0.72 0.00 0.00 1.06 0.00 0.00 33 R 9.00 4.45 0.00 1.65 1.85 0.00 3.19 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 34 D 6.98 4.36 0.00 2.78 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 35 L 8.64 3.96 0.00 1.68 1.71 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.09 4.41 0.00 2.79 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 37 S 8.54 4.15 0.00 4.17 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 38 L 7.78 3.78 0.00 1.73 1.74 0.65 0.42 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 39 W 8.25 4.19 0.00 3.28 3.19 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 40 D 8.01 4.32 0.00 2.80 2.66 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 41 V 7.28 3.70 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 0.86 0.00 0.00 0.99 0.00 0.00 42 L 6.98 4.21 0.00 1.39 1.30 0.59 1.32 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 *44 N 8.03 4.40 0.00 2.69 2.80 0.00 0.00 6.72 8.08 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 45 D 8.21 4.80 0.00 2.71 2.65 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 46 V 7.15 3.77 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 0.79 0.00 0.00 0.96 0.00 0.00 47 L 7.45 4.18 0.00 1.53 1.22 0.82 0.17 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 48 P 0.00 4.71 0.00 2.32 2.19 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.23 0.00 49 L 7.36 4.42 0.00 1.68 1.67 0.92 1.24 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 50 P 0.00 4.92 0.00 1.94 1.92 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 51 L 8.88 5.10 0.00 2.29 2.16 1.23 0.63 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 52 E 9.91 5.28 0.00 2.04 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 2.27 2.44 0.00 53 I 9.51 5.15 1.98 0.00 0.00 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 1.48 0.85 0.97 0.00 0.00 54 E 9.74 5.03 0.00 2.08 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 2.24 2.31 0.00 55 F 9.48 5.80 0.00 2.70 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 56 V 9.30 4.54 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 0.66 0.00 0.00 0.92 0.00 0.00 57 H 8.71 4.19 0.00 3.43 3.59 0.00 5.75 0.00 0.00 0.00 0.00 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.16 4.40 0.00 1.41 1.49 0.21 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.33 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 0.00 0.00 0.00 60 E 8.37 3.58 0.00 2.01 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 2.41 2.38 0.00 61 K 7.95 3.94 0.00 1.97 2.07 0.00 1.51 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.56 7.81 62 T 7.89 3.99 4.32 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 1.59 0.00 0.00 63 R 8.49 3.91 0.00 2.07 2.02 0.00 3.38 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 1.66 1.79 0.00 64 R 7.95 4.02 0.00 2.03 2.09 0.00 3.07 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 65 R 8.20 3.83 0.00 1.62 1.71 0.00 2.46 0.00 0.00 2.93 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.40 0.00 66 F 8.08 4.88 0.00 3.16 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 67 G 8.00 3.73 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 0.00 0.00 0.00 68 A 7.94 3.97 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 69 L 7.96 3.91 0.00 2.05 1.90 0.11 0.77 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 70 I 7.98 3.84 2.13 0.00 0.00 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 1.86 1.39 1.22 0.00 0.00 71 L 8.14 3.93 0.00 1.86 1.71 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.11 3.68 0.00 1.67 1.42 0.79 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 73 F 7.93 4.05 0.00 1.76 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 7.96 4.56 0.00 2.91 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 75 E 8.30 4.04 0.00 2.14 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 2.30 2.52 0.00 76 A 8.41 4.11 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 77 E 8.29 4.05 0.00 2.24 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 2.40 2.57 0.00 78 E 8.27 4.13 0.00 2.21 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 0.00 2.40 2.55 0.00 79 E 8.41 4.27 0.00 2.08 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 2.56 2.86 0.00 80 L 8.16 4.48 0.00 1.76 1.67 0.89 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 81 E 9.24 3.76 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 2.23 2.18 0.00 82 G 7.99 4.03 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 0.00 0.00 0.00 83 H 9.39 4.28 0.00 3.26 3.42 0.00 5.75 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 84 L 7.40 5.32 0.00 1.89 1.61 1.09 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 85 R 9.20 5.39 0.00 1.83 1.85 0.00 3.16 0.00 0.00 3.22 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.44 0.00 86 F 9.03 5.43 0.00 2.83 3.12 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 0.00 0.00 0.00 87 N 8.63 4.65 0.00 2.48 2.48 0.00 0.00 6.13 8.00 0.00 0.00 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 V 8.42 4.02 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 0.75 0.00 0.00 0.74 0.00 0.00 89 R 9.09 2.77 0.00 1.93 1.77 0.00 3.33 0.00 0.00 3.20 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.33 0.00 90 H 9.18 4.63 0.00 3.16 3.10 0.00 5.78 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.