NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.4135 8.3644 120.1952 53.8076 43.1605 174.8646 *4 K 4.0042 7.7846 118.8468 56.7959 33.0353 174.8099 5 K 4.5038 8.3469 124.9300 55.5279 33.5537 175.7478 6 H 5.0595 9.4923 118.3254 52.9327 32.8210 174.3576 7 G 3.8256 7.3931 111.5983 45.6434 0.0000 171.1686 8 L 5.3023 7.7667 120.7255 53.6280 46.2440 175.5495 9 S 4.8255 9.2052 114.9087 56.7428 66.7359 172.6587 10 I 5.1072 8.3391 120.8187 59.7792 41.2106 174.3368 11 G 4.2249 9.1257 114.2741 45.7034 0.0000 170.9592 12 I 5.0709 8.2389 119.5524 59.4553 40.1308 175.2695 13 N 4.9259 8.4922 123.5122 51.2201 42.2191 173.1720 14 R 4.8315 8.3384 121.9288 54.6494 32.1672 175.4427 15 I 4.4566 8.5679 126.3699 60.9479 41.1390 175.3144 16 E 3.6995 9.7925 125.3910 57.7179 26.7015 175.6534 17 S 3.6865 7.8702 109.6321 58.6558 61.5071 171.4760 18 V 4.3382 7.4684 121.3965 60.9232 33.8169 174.3875 19 F 5.2319 8.8070 126.5803 56.7897 40.1001 175.0115 20 F 5.1900 9.0341 117.5226 55.0129 41.7841 174.0702 21 V 4.4429 8.9489 120.8499 63.1034 32.8719 174.9036 22 T 5.3863 9.2103 116.6543 59.9783 72.2310 172.4911 23 L 5.2536 9.0770 125.1454 53.4060 46.1040 174.6787 24 K 4.9617 9.0962 126.3449 54.5317 35.1855 174.3411 25 A 5.2915 8.5030 129.2830 50.1282 21.4406 175.4623 26 I 4.3975 8.8005 114.7258 60.4517 41.4892 176.4727 27 G 3.7853 8.9557 111.3079 45.5023 0.0000 172.7639 28 T 5.0002 8.7436 119.8408 61.8618 70.1552 174.0278 29 L 4.7184 8.9062 128.2254 54.2918 43.5074 176.9064 30 T 4.8215 8.9457 113.5919 60.2953 71.8993 174.9593 31 H 4.2305 8.9760 119.6600 59.3481 29.8170 176.4710 32 E 3.9118 8.2868 120.7069 59.5074 29.4336 178.2621 33 D 4.5097 8.4362 118.8774 57.6631 41.0097 178.2840 34 Y 3.1435 8.0571 119.7771 60.3776 38.4480 178.0991 35 L 3.9140 7.6051 118.8588 57.7359 41.7771 179.3512 36 V 3.7199 7.7163 117.1943 65.5293 31.5873 177.5096 37 I 4.0923 7.7172 118.6164 63.6093 37.7489 177.9722 38 T 3.7613 7.2701 110.2012 63.7208 68.3498 175.5173 39 P 4.3688 0.0000 0.0000 62.7602 31.0437 177.9718 *41 L 4.2353 8.0991 120.0048 54.9868 43.6883 179.1703 42 E 3.9960 8.3372 118.2840 59.4090 29.0664 179.7274 43 G 3.5704 8.0646 104.5791 47.4909 0.0000 175.5091 44 A 4.1036 7.8155 122.5129 55.1083 18.6653 179.4456 45 L 4.0035 8.1741 119.1484 57.9878 42.3111 178.7405 46 S 4.3410 8.2120 113.2645 59.9074 62.7393 175.1050 47 Q 4.4353 7.7085 120.5063 55.5566 29.2285 175.3461 48 V 3.9362 7.6983 120.3951 62.1131 31.7337 174.5382 49 D 4.9464 8.3003 126.7553 51.9441 41.0518 173.8298 50 Q 4.7562 7.7926 120.3839 52.6160 32.1211 174.1757 51 P 4.4488 0.0000 0.0000 64.9449 31.5239 177.1022 52 K 4.7390 7.7001 114.5170 55.0060 35.6298 175.5449 53 V 4.7151 8.0655 119.3612 60.6750 35.0481 173.4059 54 S 5.4739 8.9163 117.4544 56.7684 67.5390 172.2863 55 L 5.2025 8.6504 122.1973 53.3515 45.3687 174.6862 56 F 5.1072 9.4110 128.7438 56.6048 41.4080 173.9471 57 L 4.5834 8.5815 129.7794 53.3539 43.8262 175.0230 58 D 4.4927 8.9487 128.8574 52.8249 41.6354 175.8506 59 A 4.2037 8.2706 128.4613 51.6636 19.3388 178.1652 60 T 3.9756 7.9832 111.1984 65.4598 68.7398 174.8901 61 E 4.4999 8.0258 118.8931 55.6031 29.9859 174.4300 62 L 4.5585 7.5067 122.2972 54.3147 42.5338 176.3183 63 D 4.5938 9.6125 127.0967 56.8199 41.8918 176.1023 64 G 4.0493 6.9083 106.8401 44.9858 0.0000 170.5790 65 W 5.8012 7.3202 119.3105 55.5586 31.8571 174.6321 66 D 4.7661 9.0977 119.5232 53.6872 41.8264 175.8975 67 L 4.2096 8.6873 122.8443 56.5513 42.5381 176.7278 68 R 4.3183 9.3424 122.7927 55.7942 28.1818 176.2878 69 A 4.2369 8.1283 119.3869 51.7049 19.3335 179.5041 70 A 3.6560 8.2291 122.0533 54.6366 18.4482 180.2906 71 W 3.9629 7.6448 115.5765 59.7618 29.3109 177.9211 72 D 4.7786 8.3367 118.3830 57.2793 40.3652 177.6963 73 D 4.9879 7.6806 115.2041 53.6069 41.4856 176.3068 74 L 3.8784 7.5182 122.9115 55.0330 42.4180 175.7722 75 K 4.9011 8.2778 123.8952 54.6121 35.0274 175.4921 76 L 4.5483 9.1891 126.4723 53.2144 42.8202 176.0258 77 G 4.2990 8.5887 110.1813 44.1254 0.0000 171.1528 78 L 4.4922 8.2304 121.7971 53.5138 43.0787 178.8006 79 K 4.0293 7.5474 121.3569 57.0908 31.4148 178.1255 80 H 4.9132 7.5419 114.9841 55.5974 29.8184 174.7442 81 K 3.9989 8.2495 116.0583 56.8235 30.2289 176.7684 82 S 4.2441 7.2524 114.7422 58.9743 63.2767 173.5883 83 E 4.6670 8.1634 121.0934 54.3941 31.8924 176.0282 84 F 4.4997 8.4345 120.2393 57.7521 40.0807 176.1417 85 E 4.0252 9.5985 125.4390 59.0496 30.2489 176.5783 86 R 5.2474 8.1468 117.2377 54.2804 34.8686 174.2803 87 V 4.6375 9.1185 121.3910 61.1754 34.7931 173.8602 88 A 5.2713 9.1246 130.7132 50.6162 21.1414 175.3704 89 I 4.5899 8.7101 124.8092 59.7075 39.4307 174.5925 90 L 5.0033 8.8865 131.2094 53.7332 43.2128 174.6139 91 G 4.8644 9.3535 116.6394 45.9625 0.0000 170.3397 92 N 5.2928 8.6111 119.6880 50.7679 42.4197 174.0624 93 K 4.0362 8.7559 119.3549 59.4001 32.2976 176.5745 94 D 4.8419 7.6538 116.7296 52.0656 42.3165 176.0658 95 W 4.0124 8.5899 132.4500 57.5887 31.4927 175.1658 96 Q 4.3249 6.6120 122.2146 53.1649 31.5788 176.3249 97 E 3.7353 8.2878 118.2102 58.6645 29.5246 177.9348 98 W 4.0156 6.6608 114.5065 56.4493 29.0975 177.6526 99 A 3.3571 6.6508 121.9450 54.9895 17.4971 178.6880 100 A 4.3839 7.2094 114.5862 52.4581 19.6366 178.0059 101 K 4.5159 7.5197 117.7984 57.9355 34.1473 178.1750 102 I 3.2545 8.3058 118.9776 63.3616 37.8139 178.1002 103 G 3.9683 8.3026 106.7333 47.6405 0.0000 175.0580 104 S 4.5344 7.9153 114.1075 59.8385 63.4487 175.9028 105 W 4.9182 7.9195 124.0472 57.3242 28.7341 175.4650 106 F 5.4508 7.5955 116.7745 55.5735 41.8584 174.3223 107 I 4.7155 8.6966 123.8857 59.8804 38.8489 174.5291 108 A 5.2503 8.7250 128.0367 50.1499 21.8331 175.8533 109 G 3.9190 9.2327 109.4236 49.1809 0.0000 173.6896 110 E 5.0630 8.5735 120.2592 54.4077 33.7016 173.9016 111 I 5.1134 8.5413 125.6377 59.4435 40.1817 174.7681 112 K 4.2688 8.6612 126.8772 54.5878 35.5928 174.2111 113 Y 5.0345 8.0108 122.8104 56.3526 40.4348 174.8744 114 F 5.1111 9.5385 121.0285 55.9421 43.6920 175.1095 115 E 4.8946 9.2092 115.9707 55.9252 31.1046 175.8856 116 D 4.8167 7.9425 119.1642 51.7554 44.3475 174.9068 117 E 4.0352 9.1084 129.9170 60.1819 29.6477 178.9530 118 D 4.3153 8.1321 120.9057 58.6569 39.8563 180.3288 119 D 4.5427 8.2982 119.8222 56.9881 40.9114 178.4736 120 A 2.0000 7.4140 120.9607 54.6829 18.3140 179.7836 121 L 3.5173 7.7262 117.5250 57.4264 41.5296 179.6077 122 K 3.9948 8.1629 119.8687 59.2994 31.9411 178.6611 123 W 4.2419 8.0469 127.4387 60.5318 30.7138 177.6577 124 L 3.6785 7.6709 118.0638 57.4632 41.0516 179.1670 125 R 3.6737 7.6473 117.6876 58.5008 30.1282 175.7682 126 Y 4.2696 7.7842 119.7403 58.0199 38.3090 175.3371 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 D 8.36 4.41 0.00 2.65 2.77 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 *4 K 7.78 4.00 0.00 1.78 1.75 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 1.42 7.81 5 K 8.35 4.50 0.00 1.74 1.69 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.43 7.81 6 H 9.49 5.06 0.00 3.11 3.17 0.00 5.77 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 7.39 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 8 L 7.77 5.30 0.00 1.52 1.62 0.88 0.90 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 9 S 9.21 4.83 0.00 3.83 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 10 I 8.34 5.11 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.17 0.93 0.00 0.00 11 G 9.13 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 8.24 5.07 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.71 0.98 0.00 0.00 13 N 8.49 4.93 0.00 1.50 2.28 0.00 0.00 6.16 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 14 R 8.34 4.83 0.00 1.22 1.60 0.00 2.86 0.00 0.00 2.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.12 0.00 15 I 8.57 4.46 2.00 0.00 0.00 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 1.38 0.85 0.87 0.00 0.00 16 E 9.79 3.70 0.00 1.92 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 2.23 2.35 0.00 17 S 7.87 3.69 0.00 3.96 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 18 V 7.47 4.34 2.08 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 1.06 0.00 0.00 0.87 0.00 0.00 19 F 8.81 5.23 0.00 2.99 2.89 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 20 F 9.03 5.19 0.00 3.17 3.05 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 21 V 8.95 4.44 2.28 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 1.21 0.00 0.00 1.16 0.00 0.00 22 T 9.21 5.39 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 23 L 9.08 5.25 0.00 1.77 1.49 1.12 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 24 K 9.10 4.96 0.00 1.84 1.59 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.47 7.81 25 A 8.50 5.29 1.09 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 0.00 0.00 26 I 8.80 4.40 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.15 0.87 0.00 0.00 27 G 8.96 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 28 T 8.74 5.00 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 1.26 0.00 0.00 29 L 8.91 4.72 0.00 1.14 1.10 -0.08 0.57 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 30 T 8.95 4.82 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 1.28 0.00 0.00 31 H 8.98 4.23 0.00 3.30 3.40 0.00 5.87 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.29 3.91 0.00 2.12 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 2.41 2.43 0.00 33 D 8.44 4.51 0.00 3.41 3.05 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 34 Y 8.06 3.14 0.00 2.05 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 35 L 7.61 3.91 0.00 1.76 1.66 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.72 3.72 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 0.83 0.00 0.00 0.98 0.00 0.00 37 I 7.72 4.09 2.09 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.88 0.97 0.00 0.00 38 T 7.27 3.76 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 39 P 0.00 4.37 0.00 2.10 1.99 0.00 3.52 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.94 0.00 *41 L 8.10 4.24 0.00 1.73 1.71 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.34 4.00 0.00 2.05 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 2.20 2.29 0.00 43 G 8.06 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.82 4.10 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 45 L 8.17 4.00 0.00 1.95 1.71 1.17 1.23 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 46 S 8.21 4.34 0.00 4.06 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 47 Q 7.71 4.44 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 48 V 7.70 3.94 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.03 0.00 0.00 49 D 8.30 4.95 0.00 2.57 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 7.79 4.76 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 51 P 0.00 4.45 0.00 2.05 2.13 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 52 K 7.70 4.74 0.00 2.06 1.72 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.29 0.97 7.81 53 V 8.07 4.72 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 0.80 0.00 0.00 1.15 0.00 0.00 54 S 8.92 5.47 0.00 3.75 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 55 L 8.65 5.20 0.00 0.64 0.60 0.49 0.55 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 56 F 9.41 5.11 0.00 3.00 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 57 L 8.58 4.58 0.00 1.48 1.39 0.85 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.95 4.49 0.00 2.33 2.37 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 59 A 8.27 4.20 0.31 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 60 T 7.98 3.98 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 1.37 0.00 0.00 61 E 8.03 4.50 0.00 2.00 1.95 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 2.32 2.27 0.00 62 L 7.51 4.56 0.00 1.46 1.18 0.87 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 63 D 9.61 4.59 0.00 2.80 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 64 G 6.91 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 0.00 0.00 0.00 65 W 7.32 5.80 0.00 3.40 2.97 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 66 D 9.10 4.77 0.00 2.81 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 67 L 8.69 4.21 0.00 1.69 1.66 0.98 1.00 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 68 R 9.34 4.32 0.00 2.28 2.02 0.00 3.43 0.00 0.00 2.48 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.13 0.00 69 A 8.13 4.24 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 70 A 8.23 3.66 -0.09 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 0.00 0.00 71 W 7.64 3.96 0.00 1.93 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 0.00 0.00 0.00 72 D 8.34 4.78 0.00 2.98 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 73 D 7.68 4.99 0.00 2.61 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 74 L 7.52 3.88 0.00 1.22 0.43 0.43 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.28 4.90 0.00 1.59 1.67 0.00 1.83 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.38 7.81 76 L 9.19 4.55 0.00 1.58 1.80 1.08 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.59 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 0.00 0.00 0.00 0.00 78 L 8.23 4.49 0.00 1.72 1.43 0.28 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 79 K 7.55 4.03 0.00 1.89 1.77 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.29 7.81 80 H 7.54 4.91 0.00 3.17 3.22 0.00 5.89 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.25 4.00 0.00 2.20 1.95 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.27 7.81 82 S 7.25 4.24 0.00 3.77 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 83 E 8.16 4.67 0.00 1.96 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 2.25 2.30 0.00 84 F 8.43 4.50 0.00 3.08 2.94 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 0.00 0.00 0.00 85 E 9.60 4.03 0.00 2.06 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 2.24 2.27 0.00 86 R 8.15 5.25 0.00 1.43 1.27 0.00 2.39 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.24 0.00 87 V 9.12 4.64 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 0.32 0.00 0.00 0.51 0.00 0.00 88 A 9.12 5.27 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.71 4.59 1.50 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.44 1.10 0.00 0.00 90 L 8.89 5.00 0.00 1.85 1.61 1.08 0.87 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 91 G 9.35 4.86 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 0.00 0.00 0.00 92 N 8.61 5.29 0.00 2.70 2.76 0.00 0.00 6.68 7.61 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 93 K 8.76 4.04 0.00 1.99 1.85 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.42 1.04 7.81 94 D 7.65 4.84 0.00 2.69 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.59 4.01 0.00 3.22 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 96 Q 6.61 4.32 0.00 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.62 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 97 E 8.29 3.74 0.00 1.90 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 2.10 2.02 0.00 98 W 6.66 4.02 0.00 3.06 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 99 A 6.65 3.36 -0.69 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 0.00 100 A 7.21 4.38 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.52 4.52 0.00 2.02 2.21 0.00 1.80 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.59 1.53 7.81 102 I 8.31 3.25 1.95 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 -0.36 1.03 0.00 0.00 103 G 8.30 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 0.00 104 S 7.92 4.53 0.00 4.23 4.14 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 0.00 0.00 0.00 105 W 7.92 4.92 0.00 2.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.60 5.45 0.00 3.21 3.14 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 0.00 0.00 0.00 107 I 8.70 4.72 2.00 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 1.40 0.78 1.05 0.00 0.00 108 A 8.73 5.25 1.39 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 0.00 0.00 109 G 9.23 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 0.00 110 E 8.57 5.06 0.00 2.23 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 2.49 2.46 0.00 111 I 8.54 5.11 1.91 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.91 0.58 0.00 0.00 112 K 8.66 4.27 0.00 0.79 0.74 0.00 0.71 0.00 0.00 0.61 0.00 0.00 2.43 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.69 7.81 113 Y 8.01 5.03 0.00 2.72 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 0.00 114 F 9.54 5.11 0.00 2.95 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 0.00 115 E 9.21 4.89 0.00 2.09 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 0.00 2.22 2.31 0.00 116 D 7.94 4.82 0.00 2.74 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 0.00 117 E 9.11 4.04 0.00 2.18 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 2.24 2.22 0.00 118 D 8.13 4.32 0.00 2.75 2.67 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 0.00 0.00 0.00 0.00 119 D 8.30 4.54 0.00 2.98 2.97 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 0.00 120 A 7.41 2.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.73 3.52 0.00 1.46 1.40 0.63 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.16 3.99 0.00 1.94 2.01 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.60 7.81 123 W 8.05 4.24 0.00 3.43 3.41 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 0.00 124 L 7.67 3.68 0.00 1.45 1.33 0.73 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 125 R 7.65 3.67 0.00 1.45 1.62 0.00 2.80 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.50 0.00 126 Y 7.78 4.27 0.00 2.97 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 * Residues marked with a * may have inaccurate shift predictions.