NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2473 8.2985 120.2484 56.2867 30.7597 176.2904 2 A 4.0017 8.5353 126.0381 53.3684 18.9768 176.5948 3 A 4.1107 7.9316 117.9965 53.8782 20.6392 175.7932 4 V 4.6179 7.4720 116.4340 61.9605 32.4479 175.6649 5 T 4.7375 9.0682 118.8685 60.0594 71.4188 173.1370 6 Q 5.3193 8.8566 123.9800 54.4249 32.0188 174.9154 7 S 4.7169 9.0796 115.8722 56.5044 66.1303 172.3844 8 P 4.8510 0.0000 0.0000 61.6847 33.5826 175.0126 9 R 4.2990 8.4206 116.9629 58.3037 31.3337 176.0352 10 N 5.5481 8.0231 114.7459 51.2346 42.1693 174.1532 11 K 4.6301 9.1026 123.8748 54.8217 36.2599 174.6788 12 V 4.9676 8.5221 126.0111 61.0476 33.9072 174.2663 13 A 5.0195 9.1661 128.8955 50.2473 22.5771 175.3916 14 V 4.5772 8.4114 112.8253 59.9049 34.1330 176.2817 15 T 4.0389 8.1776 120.2826 65.6365 68.9446 175.3897 16 G 4.3162 9.4868 115.0770 44.4869 0.0000 173.0928 17 E 4.0568 8.0445 121.1642 56.4031 30.9181 175.9390 18 K 4.8819 8.4757 127.3209 55.0111 32.9618 175.6422 19 V 4.3716 8.5316 128.1507 61.3828 34.3232 174.7448 20 T 4.8518 8.1450 122.4190 61.6952 71.4086 173.3147 21 L 4.2389 8.3212 127.7132 54.1647 43.1964 176.3665 22 S 5.2930 8.9543 119.1813 56.9166 66.0962 172.3195 23 C 5.5282 8.9775 122.7694 54.8629 46.0154 172.1023 24 N 6.3000 9.4862 123.3776 50.8221 42.1698 172.8663 25 Q 5.6541 8.9581 123.0189 53.2248 31.5709 175.1472 26 T 4.6390 8.4555 114.8176 61.7621 68.3410 175.0771 27 N 4.3702 8.4322 119.6844 53.9150 39.2433 175.6908 28 N 4.1146 8.0259 115.0524 54.7591 37.3169 173.3271 29 H 4.8487 7.5997 109.1154 54.7548 30.0749 175.3823 30 N 4.7142 8.6713 119.2149 55.5990 39.4213 175.2613 31 N 5.3557 7.6542 114.7797 52.4339 40.0268 174.6809 32 M 5.3004 7.7833 121.3622 53.9152 36.8512 173.7155 33 Y 5.5723 9.4058 118.5714 56.3195 43.4041 174.5293 34 W 5.4719 9.5684 120.4007 55.7218 32.5509 174.4099 35 Y 5.4968 10.1777 123.3662 56.2048 41.2812 175.1198 36 R 4.9843 9.1025 116.6587 54.5977 33.1244 173.8406 37 Q 5.0097 9.4260 123.9590 53.7602 32.2851 175.1652 38 D 5.1255 8.3810 127.4268 52.7480 39.7513 175.9731 39 T 4.2404 8.4293 104.9568 63.2690 70.8016 173.8266 40 G 3.9593 8.4839 109.2234 46.5839 0.0000 174.3074 41 H 4.8192 7.2894 117.4682 54.4759 29.2044 174.1151 42 E 3.9976 8.8930 125.1233 58.1359 29.9325 177.4460 43 L 4.8146 8.4448 126.0729 53.9578 43.3829 176.0878 44 R 4.8633 9.0840 122.1444 54.0123 33.7036 174.9230 45 L 3.7071 8.5481 125.5975 55.5874 42.9936 176.3337 46 I 4.1226 9.0217 127.3517 62.9395 38.7180 175.0847 47 Y 5.3076 7.8059 117.9359 56.9851 42.7864 172.9886 48 Y 5.6096 8.9763 119.4638 56.1503 42.7163 173.5793 49 S 4.3953 8.1501 113.0801 57.1973 65.4242 174.4071 50 Y 4.4251 8.7048 124.2425 58.4487 38.3176 175.4476 51 G 3.9729 7.2014 108.1952 43.8500 0.0000 171.2177 52 A 4.1642 8.1207 121.9866 54.1957 18.2743 178.2786 53 G 3.9562 9.1479 111.9982 44.9838 0.0000 173.0416 54 S 4.7475 7.9702 115.0286 57.2423 63.8993 173.9776 55 T 4.5941 8.3845 122.8498 62.5379 71.6610 172.7373 56 E 4.5792 8.9322 126.9676 53.8568 32.4879 176.2387 57 K 2.9974 8.5046 123.7211 55.5794 32.6227 177.5312 58 G 4.2006 8.3234 116.4496 47.0669 0.0000 175.3296 59 D 4.7894 9.0759 122.9038 54.9951 41.6919 177.2479 60 I 4.6808 7.1700 110.6563 58.7965 37.1748 173.0833 61 P 4.6241 0.0000 0.0000 64.0433 32.4676 177.1145 62 D 4.3428 7.9912 120.4340 56.0423 41.2683 176.6479 63 G 3.6359 8.7445 112.7025 45.5385 0.0000 172.0924 *65 Y 5.3428 7.2567 115.4786 58.0106 39.3673 174.3404 66 K 4.6029 8.8315 121.7159 54.6740 36.1244 174.7295 67 A 4.8128 7.6934 125.1132 50.3233 22.9055 175.3569 68 S 4.4246 8.6212 113.2278 56.8266 66.1792 173.8012 69 R 5.5494 8.7056 127.8045 53.0273 28.4632 173.8755 70 P 4.2771 0.0000 0.0000 65.1157 31.9460 176.7543 71 S 4.5858 7.4551 110.1840 56.8421 65.8457 172.6947 72 Q 4.0261 8.9124 120.3580 59.6484 28.9658 177.4654 73 E 4.4154 8.1132 113.2486 56.3157 30.4893 174.5330 74 N 6.0497 7.8733 116.9995 50.7338 41.7027 173.1928 75 F 5.4585 8.9781 125.3121 56.7346 42.8271 173.0202 76 S 5.1449 9.0905 121.4849 56.4623 65.7007 172.6764 77 L 4.4898 7.7013 125.0079 53.4483 44.1643 174.9938 78 T 4.8092 8.6818 122.1711 61.7108 72.2375 173.0069 79 L 4.6498 8.8661 127.2227 53.2867 41.7740 176.7633 80 E 3.8036 8.7638 126.5371 58.9349 30.9757 176.1745 81 S 4.7839 8.0520 115.3430 55.3461 64.9572 172.4204 82 A 4.4004 8.9765 129.4429 53.0981 19.3052 176.0626 83 T 4.7942 8.6068 115.4808 59.5559 70.9716 173.0115 84 P 4.3715 0.0000 0.0000 65.7021 31.5503 178.6153 85 S 4.2640 7.5897 110.3520 60.5818 62.8928 174.9438 86 Q 4.4534 8.3532 119.0057 56.3964 28.9419 175.5594 87 T 4.2881 7.8075 114.8859 62.3980 68.0336 173.5534 88 S 4.5326 8.3986 122.0830 58.4642 67.9194 174.4017 89 V 4.6434 7.8693 120.8475 61.4677 33.0896 174.4338 90 Y 4.9849 9.0218 126.9617 57.0981 39.6039 174.6899 91 F 5.6059 9.9596 122.8567 55.9210 42.6998 173.3241 92 C 4.9740 9.7194 123.1676 54.7196 45.2547 172.3202 93 A 5.1750 8.6540 125.7782 50.3549 22.6731 174.8685 94 S 5.2744 8.6967 113.0625 57.0118 66.8240 173.2712 95 G 4.2064 9.1067 104.5934 45.3693 0.0000 174.3033 96 G 3.8798 8.5072 113.0134 45.1321 0.0000 174.1954 97 G 3.9591 8.3590 107.2460 46.7352 0.0000 173.1488 98 G 3.7980 8.2410 113.5014 46.1759 0.0000 176.7517 *105 T 3.8938 8.5294 116.8775 62.8941 69.3718 172.4590 106 L 4.6098 7.9347 124.5858 53.0651 44.0720 175.2367 107 Y 4.7354 8.6431 121.3839 56.3507 40.1832 175.0720 108 F 5.0971 9.1715 123.0517 56.2141 41.1225 175.9477 109 G 4.1463 9.2633 109.5509 45.0304 0.0000 174.6849 110 A 4.0580 8.7672 122.4203 53.6667 18.5302 179.0594 111 G 3.7866 8.3304 100.6196 45.6450 0.0000 173.1793 112 T 4.6734 8.5475 116.2258 61.4531 72.1022 173.3900 113 R 4.5146 9.3236 129.0489 55.5198 31.4223 174.7782 114 L 5.2912 9.0671 129.4416 53.5101 44.7162 175.0844 115 S 5.1410 8.9498 122.3939 56.7079 66.0616 173.1865 116 V 4.7841 8.3650 123.0540 61.1143 33.4351 174.2110 117 L 4.6848 8.9348 131.0173 53.3435 43.9004 176.5618 118 S 5.0720 8.5241 119.0817 58.0343 63.3033 173.8566 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 E 8.30 4.25 0.00 2.08 1.87 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 1.88 1.47 0.00 2 A 8.54 4.00 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 A 7.93 4.11 1.25 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 0.00 0.00 0.00 4 V 7.47 4.62 2.13 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 0.87 0.00 0.00 1.00 0.00 0.00 5 T 9.07 4.74 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 1.23 0.00 0.00 6 Q 8.86 5.32 0.00 2.07 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 7 S 9.08 4.72 0.00 3.88 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 8 P 0.00 4.85 0.00 2.22 2.07 0.00 3.79 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 9 R 8.42 4.30 0.00 2.00 1.98 0.00 3.39 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 10 N 8.02 5.55 0.00 2.60 2.67 0.00 0.00 6.58 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 11 K 9.10 4.63 0.00 1.81 1.55 0.00 1.44 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.39 7.81 12 V 8.52 4.97 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 0.86 0.00 0.00 0.94 0.00 0.00 13 A 9.17 5.02 1.16 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 14 V 8.41 4.58 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 0.68 0.00 0.00 0.99 0.00 0.00 15 T 8.18 4.04 4.23 0.00 0.00 0.00 0.00 0.00 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 16 G 9.49 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 0.00 0.00 0.00 0.00 17 E 8.04 4.06 0.00 2.11 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 2.26 2.23 0.00 18 K 8.48 4.88 0.00 1.76 1.67 0.00 1.57 0.00 0.00 1.12 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.20 7.81 19 V 8.53 4.37 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 0.62 0.00 0.00 0.90 0.00 0.00 20 T 8.15 4.85 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 1.11 0.00 0.00 21 L 8.32 4.24 0.00 0.57 1.20 -0.07 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.95 5.29 0.00 3.83 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 23 C 8.98 5.53 0.00 2.83 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 24 N 9.49 6.30 0.00 2.98 2.61 0.00 0.00 6.57 6.64 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 25 Q 8.96 5.65 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.33 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 26 T 8.46 4.64 4.21 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 1.20 0.00 0.00 27 N 8.43 4.37 0.00 2.68 2.14 0.00 0.00 6.72 6.86 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 28 N 8.03 4.11 0.00 2.81 2.89 0.00 0.00 7.04 7.89 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 29 H 7.60 4.85 0.00 3.34 3.35 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.67 4.71 0.00 2.81 3.07 0.00 0.00 6.97 6.92 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 31 N 7.65 5.36 0.00 2.92 2.48 0.00 0.00 6.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 M 7.78 5.30 0.00 1.86 1.31 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 33 Y 9.41 5.57 0.00 3.02 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 34 W 9.57 5.47 0.00 3.45 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 35 Y 10.18 5.50 0.00 3.21 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 36 R 9.10 4.98 0.00 1.30 1.50 0.00 2.66 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 37 Q 9.43 5.01 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.99 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 38 D 8.38 5.13 0.00 2.77 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 39 T 8.43 4.24 4.38 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 1.23 0.00 0.00 40 G 8.48 3.96 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 0.00 41 H 7.29 4.82 0.00 3.26 3.17 0.00 5.88 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 42 E 8.89 4.00 0.00 1.99 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 2.35 2.38 0.00 43 L 8.44 4.81 0.00 1.49 1.72 0.62 0.33 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 44 R 9.08 4.86 0.00 1.77 1.84 0.00 3.17 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.59 0.00 45 L 8.55 3.71 0.00 1.38 1.41 0.50 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 46 I 9.02 4.12 2.05 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.58 0.55 0.00 0.00 47 Y 7.81 5.31 0.00 2.90 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 48 Y 8.98 5.61 0.00 2.50 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 49 S 8.15 4.40 0.00 2.96 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.70 4.43 0.00 3.01 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 51 G 7.20 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 52 A 8.12 4.16 1.26 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 53 G 9.15 3.96 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 0.00 54 S 7.97 4.75 0.00 3.92 3.96 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 55 T 8.38 4.59 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 1.33 0.00 0.00 56 E 8.93 4.58 0.00 1.16 1.16 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 1.75 1.75 0.00 57 K 8.50 3.00 0.00 1.45 1.43 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.01 1.35 7.81 58 G 8.32 4.20 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 0.00 59 D 9.08 4.79 0.00 2.61 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 60 I 7.17 4.68 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.68 0.96 0.00 0.00 61 P 0.00 4.62 0.00 2.04 1.95 0.00 3.78 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 1.95 1.86 0.00 62 D 7.99 4.34 0.00 2.71 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 63 G 8.74 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 0.00 0.00 0.00 *65 Y 7.26 5.34 0.00 3.32 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 K 8.83 4.60 0.00 1.72 1.46 0.00 1.46 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.15 1.28 7.81 67 A 7.69 4.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.62 4.42 0.00 3.84 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.71 5.55 0.00 2.05 1.83 0.00 3.65 0.00 0.00 2.96 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 70 P 0.00 4.28 0.00 2.24 2.21 0.00 4.17 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 71 S 7.46 4.59 0.00 4.01 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 72 Q 8.91 4.03 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.04 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 73 E 8.11 4.42 0.00 2.24 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 0.00 2.34 2.27 0.00 74 N 7.87 6.05 0.00 2.77 2.81 0.00 0.00 6.54 8.01 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 75 F 8.98 5.46 0.00 2.98 2.91 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 76 S 9.09 5.14 0.00 3.92 3.96 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 77 L 7.70 4.49 0.00 0.27 0.13 0.66 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.68 4.81 4.09 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 1.16 0.00 0.00 79 L 8.87 4.65 0.00 1.45 1.47 0.77 0.63 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 80 E 8.76 3.80 0.00 2.02 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 2.34 2.33 0.00 81 S 8.05 4.78 0.00 3.83 3.61 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 82 A 8.98 4.40 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 83 T 8.61 4.79 4.20 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 1.22 0.00 0.00 84 P 0.00 4.37 0.00 2.21 2.12 0.00 3.64 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 2.12 2.10 0.00 85 S 7.59 4.26 0.00 4.04 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 86 Q 8.35 4.45 0.00 2.18 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 87 T 7.81 4.29 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 88 S 8.40 4.53 0.00 3.97 3.45 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 89 V 7.87 4.64 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 0.58 0.00 0.00 0.95 0.00 0.00 90 Y 9.02 4.98 0.00 3.04 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 91 F 9.96 5.61 0.00 3.30 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 92 C 9.72 4.97 0.00 1.23 2.46 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 93 A 8.65 5.18 0.20 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 94 S 8.70 5.27 0.00 3.96 3.96 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 95 G 9.11 4.21 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 0.00 0.00 0.00 96 G 8.51 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 0.00 0.00 0.00 97 G 8.36 3.96 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 0.00 98 G 8.24 3.80 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 0.00 0.00 0.00 *105 T 8.53 3.89 4.04 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 0.00 0.00 0.29 0.00 0.00 106 L 7.93 4.61 0.00 1.21 1.17 0.64 0.02 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 0.00 107 Y 8.64 4.74 0.00 2.87 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 0.00 108 F 9.17 5.10 0.00 2.79 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 0.00 109 G 9.26 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 0.00 0.00 0.00 0.00 110 A 8.77 4.06 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 0.00 111 G 8.33 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 0.00 112 T 8.55 4.67 4.38 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 1.25 0.00 0.00 113 R 9.32 4.51 0.00 1.86 2.01 0.00 3.19 0.00 0.00 3.12 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 114 L 9.07 5.29 0.00 1.78 1.71 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.95 5.14 0.00 3.82 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 0.00 116 V 8.37 4.78 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 1.02 0.00 0.00 117 L 8.93 4.68 0.00 1.76 1.50 0.92 0.67 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 0.00 118 S 8.52 5.07 0.00 4.01 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 * Residues marked with a * may have inaccurate shift predictions.