NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3422 8.3001 120.3503 55.4605 33.3037 173.9346 2 A 4.6657 8.2521 125.8280 50.1262 22.8388 169.9576 3 V 4.5984 9.0934 112.9524 59.0967 35.9174 175.8796 4 I 3.8027 8.3885 122.3539 64.9323 36.7011 178.2931 5 D 4.5318 8.1159 118.7331 56.7836 40.5067 178.2158 6 D 4.4005 7.9033 119.3489 57.1910 41.1009 178.1565 7 F 4.2747 8.1946 120.7014 61.4106 39.3806 177.0418 8 E 3.9146 8.1830 116.8008 59.0577 29.2709 179.1778 9 K 4.0472 7.6532 117.3629 57.6427 32.4593 177.3130 10 L 4.1595 6.8982 119.1500 53.8813 42.5286 175.8758 11 D 4.5991 8.4714 121.8076 52.7589 43.1710 174.3116 12 I 4.7381 7.9335 127.3264 59.6402 39.4648 175.2401 13 R 5.3178 8.7980 125.6478 54.4326 34.5796 174.9216 14 T 5.1993 8.2659 111.5613 61.0511 70.9471 173.8607 15 G 3.9250 8.1568 106.8307 45.6001 0.0000 172.0135 16 T 4.9982 7.8954 119.0307 61.3628 70.7380 174.3591 17 I 4.0874 8.8784 128.5381 61.8327 37.5492 176.9660 18 V 4.2534 9.1780 120.3902 61.3715 33.6199 175.9974 19 K 4.6737 7.6877 120.6297 55.0890 35.5419 174.1442 20 A 5.2589 8.5153 127.4671 50.3527 22.4686 174.9139 21 E 4.6051 9.0182 121.2935 54.2972 33.5415 174.0909 22 E 3.8271 9.0013 127.9432 58.2567 29.9082 174.1630 23 F 3.8893 9.3356 129.6215 59.0575 38.8752 174.0732 *29 P 4.4320 0.0000 0.0000 62.6241 33.4300 176.3125 30 A 4.7616 8.3194 123.5267 51.1269 23.4897 174.1653 31 I 4.8825 8.8532 120.8835 60.1738 40.8992 176.3178 32 K 4.4747 9.0577 131.5694 54.8658 32.8538 172.6555 33 L 5.3241 9.3509 125.4089 51.9141 45.4724 175.6373 34 V 4.8930 8.6658 121.9789 61.2375 34.3309 174.2378 35 I 4.7083 8.5843 128.3811 59.3698 40.6992 174.1339 36 D 4.4862 8.7886 127.7200 53.3165 41.8140 175.8493 37 F 4.4854 8.8237 124.9515 57.2426 39.8392 177.1211 38 G 4.0216 8.8300 106.8658 44.9586 0.0000 175.3119 39 T 3.7086 8.4731 110.3488 65.2539 68.8618 177.3642 40 E 4.1946 8.2204 116.8313 57.5904 30.0386 179.2820 41 I 4.2445 7.1699 113.6379 60.5840 39.5763 177.2578 42 G 3.9225 8.7553 110.0419 44.8922 0.0000 172.1669 43 I 4.7530 8.1678 119.4858 61.2755 38.1989 175.8256 44 K 4.9695 8.9828 123.6639 55.2431 37.1503 175.2071 45 Q 5.2864 9.1917 121.1298 54.7592 31.7627 174.7609 46 S 4.9072 9.1060 115.4398 57.0130 66.6124 172.8217 47 S 5.0758 9.0675 121.4019 56.8339 63.2848 172.6706 48 A 4.6377 8.4352 129.9384 49.7364 21.0653 176.9579 49 Q 4.3399 8.3945 123.7831 54.9895 27.0845 176.0883 50 I 4.6664 7.3294 110.7941 60.7050 38.6893 178.5893 51 T 4.1861 8.0527 112.7482 64.4672 69.5402 175.6607 52 K 4.0764 8.3686 123.0151 58.9209 32.2313 177.3020 53 R 4.3935 7.9524 113.6582 55.7002 31.9013 175.2220 54 Y 4.7839 7.5833 114.7162 55.8528 40.9542 175.0095 55 K 4.6946 8.3171 122.3285 54.1516 34.8428 175.6403 56 P 4.1997 0.0000 0.0000 66.1151 31.1257 178.7482 57 E 4.1897 8.2308 115.2826 58.7825 29.5359 178.7213 58 G 3.8488 7.9877 104.1327 46.1255 0.0000 174.9684 59 L 4.3623 7.7688 120.8821 55.3797 42.2600 177.0150 60 I 3.8583 7.2985 119.2707 62.5072 37.5295 175.4147 61 N 4.2035 8.8294 120.5950 53.7430 36.9119 173.7459 62 K 4.2968 7.6325 120.7690 55.8183 33.5940 175.7198 63 Q 4.7177 8.6645 126.8449 55.6452 29.7804 175.5574 64 V 4.5159 8.8754 117.5591 59.4684 36.0252 174.3975 65 I 5.1646 8.1647 120.5449 59.7773 40.3095 174.9655 66 A 5.1376 8.9860 127.9090 50.1974 23.1897 175.1298 67 V 3.8099 8.6570 122.4237 62.6869 31.9721 176.8363 68 V 3.6240 8.4028 122.9220 62.8297 33.0866 178.3704 69 N 4.6222 7.6384 115.5888 53.0304 37.0470 174.6977 70 F 5.0800 7.7153 117.4267 56.4916 40.2881 174.0983 71 P 4.3941 0.0000 0.0000 61.8869 31.5598 174.2236 72 P 4.5257 0.0000 0.0000 62.5986 32.6020 175.5386 73 R 4.5921 8.6030 121.0117 54.9207 33.9359 173.9610 74 R 5.2750 8.5702 125.0611 54.5981 31.2101 176.1673 75 I 4.0077 8.5944 125.9982 60.2945 37.8844 175.9153 76 A 3.9966 9.6197 131.4999 53.5184 15.7386 176.4057 77 G 4.0668 8.1411 102.1933 46.0598 0.0000 172.1243 78 F 4.7962 7.8607 121.3280 55.6017 41.4129 174.5146 79 K 4.2362 7.8479 129.1500 55.7105 31.2094 175.1997 80 S 4.5627 8.4969 122.2290 57.6091 63.0638 173.8472 81 E 4.6758 9.1552 126.4854 56.2711 30.4297 176.3521 82 V 4.4081 7.5263 117.7373 61.7562 34.8451 172.0557 83 L 4.5760 8.8790 130.7913 53.7257 43.4110 175.1364 84 V 4.4960 8.4086 127.0681 62.1353 32.7167 174.9438 85 L 4.6694 9.0715 128.5966 53.7930 43.4675 175.9162 86 G 4.4267 8.3957 108.6410 44.7423 0.0000 172.5560 87 G 3.8937 9.1390 108.1102 46.2635 0.0000 173.1901 88 I 4.9533 8.1062 123.4842 57.9907 37.3352 173.8414 89 P 4.3788 0.0000 0.0000 62.9368 32.1152 176.4027 90 G 3.9143 7.5233 109.5957 45.5265 0.0000 172.9279 91 Q 4.1816 8.5916 118.3319 56.3621 28.1898 175.8001 92 G 4.0091 8.9998 110.6330 44.5387 0.0000 172.1911 93 D 5.0731 7.8661 119.6247 52.3236 43.8396 175.1852 94 V 4.7580 8.3358 124.0762 61.3574 34.9445 174.0257 95 V 4.5739 8.8272 128.2141 60.9507 33.2803 174.8658 96 L 4.4378 9.3399 129.2301 54.7355 42.0913 177.3632 97 L 4.4922 8.4647 123.3068 54.8812 42.3736 176.5081 98 Q 4.6053 8.2920 118.1942 53.9001 31.0990 172.8867 99 P 4.4653 0.0000 0.0000 62.4940 31.9262 177.2068 100 D 4.3885 8.5676 119.8470 54.7310 39.7594 175.7708 101 Q 4.5709 7.2770 117.1890 54.1447 31.5675 172.4308 102 P 4.2921 0.0000 0.0000 63.0652 31.6768 176.5022 103 V 4.5395 8.0052 115.7007 58.3560 34.6331 173.7857 104 P 4.3540 0.0000 0.0000 62.7650 31.7609 175.9035 105 N 4.3747 8.4927 118.5755 54.8728 38.9741 176.4052 106 G 4.0840 9.4487 111.3610 45.1128 0.0000 173.8737 107 T 3.9440 7.4746 117.0082 63.9935 69.2451 173.6758 108 K 4.7155 8.6917 127.4366 56.0199 33.6410 175.5148 109 I 4.5208 8.4172 126.5322 59.6468 38.9266 176.2734 110 G 3.9502 8.5113 114.4375 46.0843 0.0000 172.2975 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 M 8.30 4.34 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 2 A 8.25 4.67 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 3 V 9.09 4.60 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 0.83 0.00 0.00 1.00 0.00 0.00 4 I 8.39 3.80 1.91 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 1.64 0.86 1.01 0.00 0.00 5 D 8.12 4.53 0.00 2.71 2.73 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 6 D 7.90 4.40 0.00 2.88 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 7 F 8.19 4.27 0.00 3.16 3.29 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 8 E 8.18 3.91 0.00 2.03 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 2.42 2.55 0.00 9 K 7.65 4.05 0.00 1.68 1.87 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.53 7.81 10 L 6.90 4.16 0.00 1.32 1.26 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.47 4.60 0.00 2.61 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 7.93 4.74 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.32 0.90 0.00 0.00 13 R 8.80 5.32 0.00 1.77 1.80 0.00 3.23 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.42 0.00 14 T 8.27 5.20 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 1.25 0.00 0.00 15 G 8.16 3.93 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 0.00 0.00 0.00 16 T 7.90 5.00 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 1.13 0.00 0.00 17 I 8.88 4.09 2.01 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.52 0.90 0.00 0.00 18 V 9.18 4.25 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 0.61 0.00 0.00 0.96 0.00 0.00 19 K 7.69 4.67 0.00 1.80 1.61 0.00 1.68 0.00 0.00 1.86 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.46 7.81 20 A 8.52 5.26 1.18 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 21 E 9.02 4.61 0.00 2.03 1.74 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 2.18 2.24 0.00 22 E 9.00 3.83 0.00 2.01 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 2.30 2.40 0.00 23 F 9.34 3.89 0.00 2.89 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 *29 P 0.00 4.43 0.00 2.04 2.06 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.14 0.00 30 A 8.32 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 31 I 8.85 4.88 1.86 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.73 0.94 0.00 0.00 32 K 9.06 4.47 0.00 1.44 1.70 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.37 1.29 7.81 33 L 9.35 5.32 0.00 1.55 1.55 0.89 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.67 4.89 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 1.00 0.00 0.00 1.01 0.00 0.00 35 I 8.58 4.71 1.51 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 0.99 0.53 0.08 0.00 0.00 36 D 8.79 4.49 0.00 2.64 2.45 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 37 F 8.82 4.49 0.00 3.20 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 38 G 8.83 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 39 T 8.47 3.71 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 1.22 0.00 0.00 40 E 8.22 4.19 0.00 2.01 1.91 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 2.23 1.90 0.00 41 I 7.17 4.24 2.14 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 1.17 1.05 0.83 0.00 0.00 42 G 8.76 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.17 4.75 1.89 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 1.35 0.60 0.94 0.00 0.00 44 K 8.98 4.97 0.00 1.98 1.73 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.61 1.57 7.81 45 Q 9.19 5.29 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.26 0.00 46 S 9.11 4.91 0.00 3.97 3.71 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 47 S 9.07 5.08 0.00 3.93 3.72 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 48 A 8.44 4.64 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 49 Q 8.39 4.34 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.47 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 50 I 7.33 4.67 1.84 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.96 0.82 0.00 0.00 51 T 8.05 4.19 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 1.34 0.00 0.00 52 K 8.37 4.08 0.00 1.92 1.90 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.38 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.47 7.81 53 R 7.95 4.39 0.00 1.28 1.38 0.00 3.20 0.00 0.00 3.08 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.64 0.00 54 Y 7.58 4.78 0.00 3.15 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 55 K 8.32 4.69 0.00 1.83 1.87 0.00 1.71 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.44 7.81 56 P 0.00 4.20 0.00 2.17 2.30 0.00 3.62 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 57 E 8.23 4.19 0.00 1.93 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 2.32 2.44 0.00 58 G 7.99 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 59 L 7.77 4.36 0.00 1.89 1.68 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.30 3.86 1.87 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 1.41 0.33 0.90 0.00 0.00 61 N 8.83 4.20 0.00 2.86 2.92 0.00 0.00 6.94 8.05 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 62 K 7.63 4.30 0.00 1.83 1.82 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.42 7.81 63 Q 8.66 4.72 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.54 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 64 V 8.88 4.52 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 0.83 0.00 0.00 0.93 0.00 0.00 65 I 8.16 5.16 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.02 0.94 0.00 0.00 66 A 8.99 5.14 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 67 V 8.66 3.81 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 -0.21 0.00 0.00 0.68 0.00 0.00 68 V 8.40 3.62 1.70 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 -0.13 0.00 0.00 0.72 0.00 0.00 69 N 7.64 4.62 0.00 2.77 2.79 0.00 0.00 5.99 7.43 0.00 0.00 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 F 7.72 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 71 P 0.00 4.39 0.00 2.15 2.06 0.00 3.70 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 1.89 1.92 0.00 72 P 0.00 4.53 0.00 1.92 2.03 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 73 R 8.60 4.59 0.00 1.84 1.69 0.00 3.05 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 74 R 8.57 5.27 0.00 1.75 1.91 0.00 3.30 0.00 0.00 3.90 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.48 0.00 75 I 8.59 4.01 1.79 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 1.29 1.27 0.72 0.00 0.00 76 A 9.62 4.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.14 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 78 F 7.86 4.80 0.00 3.24 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 79 K 7.85 4.24 0.00 1.57 1.47 0.00 1.76 0.00 0.00 1.55 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.30 1.32 7.81 80 S 8.50 4.56 0.00 4.10 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 81 E 9.16 4.68 0.00 1.91 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 2.19 2.30 0.00 82 V 7.53 4.41 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 0.83 0.00 0.00 0.68 0.00 0.00 83 L 8.88 4.58 0.00 2.03 1.58 1.01 1.03 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 84 V 8.41 4.50 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 0.82 0.00 0.00 0.99 0.00 0.00 85 L 9.07 4.67 0.00 1.62 1.58 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.40 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.14 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 88 I 8.11 4.95 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.15 0.99 0.00 0.00 89 P 0.00 4.38 0.00 2.05 2.11 0.00 3.88 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 90 G 7.52 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 91 Q 8.59 4.18 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.83 0.00 0.00 0.00 0.00 0.00 2.28 1.94 0.00 92 G 9.00 4.01 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 0.00 0.00 0.00 93 D 7.87 5.07 0.00 2.80 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 94 V 8.34 4.76 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 0.88 0.00 0.00 1.04 0.00 0.00 95 V 8.83 4.57 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 1.08 0.00 0.00 0.96 0.00 0.00 96 L 9.34 4.44 0.00 1.51 1.53 0.27 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.46 4.49 0.00 1.57 1.62 0.95 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 98 Q 8.29 4.61 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.00 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 99 P 0.00 4.47 0.00 2.43 2.02 0.00 3.60 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 2.12 2.09 0.00 100 D 8.57 4.39 0.00 2.79 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 0.00 101 Q 7.28 4.57 0.00 2.33 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 102 P 0.00 4.29 0.00 2.06 2.05 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 103 V 8.01 4.54 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 0.76 0.00 0.00 0.95 0.00 0.00 104 P 0.00 4.35 0.00 2.18 1.99 0.00 3.61 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 2.12 2.13 0.00 105 N 8.49 4.37 0.00 2.75 2.79 0.00 0.00 7.12 7.84 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 0.00 106 G 9.45 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 0.00 107 T 7.47 3.94 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 1.23 0.00 0.00 108 K 8.69 4.72 0.00 1.75 1.69 0.00 1.86 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.62 7.81 109 I 8.42 4.52 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.66 1.07 0.00 0.00 110 G 8.51 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.