NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -7 Q 4.3281 8.2027 119.1229 54.1841 29.9257 173.8666 -6 E 4.1519 7.9122 117.7069 57.8947 29.6879 175.3720 -5 G 4.1480 9.8366 116.2628 44.6578 0.0000 172.5817 -4 I 3.5087 8.7107 124.1905 60.7206 36.0930 173.6154 -3 S 4.7115 7.3455 110.7805 57.4994 65.2955 175.3410 -2 S 4.4269 8.9425 117.5187 61.9876 62.7051 176.5785 -1 R 4.0177 7.6770 116.3533 58.9716 30.1734 178.5730 -6 A 4.1219 7.7322 121.3069 53.7947 18.8879 176.5720 -5 L 4.5280 9.6666 129.2628 54.6578 40.3823 175.2817 -4 W 3.9987 8.9607 125.5905 57.1206 26.8930 173.3154 -3 Q 4.5815 7.3555 114.8805 54.8994 30.8954 176.7410 -2 F 4.5769 8.9325 122.1187 61.3876 38.5051 177.7785 -1 R 4.0177 7.6770 116.3533 58.9716 30.1734 178.5730 7 S 4.1769 7.7674 113.4893 61.7221 62.9750 175.9908 8 M 4.0299 7.8721 121.2842 58.2992 31.9623 178.1451 9 I 3.6042 7.4234 119.6661 64.1839 37.1047 178.3755 10 K 4.1492 7.8070 119.3039 58.6991 32.0761 179.5850 11 C 4.4284 8.0087 118.3688 59.7569 43.4512 175.5435 12 A 4.2677 7.8356 120.9634 53.3059 18.7006 177.0269 13 I 4.3301 8.0497 119.2650 58.1735 37.9846 172.7871 14 P 4.3616 0.0000 0.0000 63.9993 31.4953 177.4964 15 G 3.8466 8.8278 109.2928 45.4039 0.0000 173.7276 16 S 4.2063 7.6285 114.6681 58.2811 64.0686 173.1363 17 H 4.9252 8.7313 119.1435 52.2235 29.2582 172.6166 18 P 4.2894 0.0000 0.0000 65.5442 31.5786 177.2859 19 L 3.9711 7.8120 118.2702 58.4507 41.9312 178.5527 20 M 4.1041 7.9006 116.4483 58.3606 32.2800 177.2696 21 D 4.4201 8.0404 119.3774 55.4780 41.3969 177.5880 22 F 4.6949 7.6463 114.8734 56.8604 39.1193 174.8930 23 N 4.9575 7.4868 117.9423 52.7753 40.9912 173.7300 24 N 4.1930 8.8420 121.0209 55.0087 37.4938 173.0662 25 Y 4.7236 7.9591 118.6501 56.6397 42.6602 175.3926 26 G 3.8696 8.1770 116.3526 46.6780 0.0000 172.5962 27 C 4.5108 9.3325 115.1310 57.6595 39.5531 174.6187 28 Y 4.3879 9.1508 115.9282 57.8231 39.8672 174.6165 29 C 4.7940 8.5324 117.8993 59.6382 40.0333 171.7146 30 G 3.7116 8.6501 115.3490 44.1048 0.0000 171.6642 31 L 3.9890 8.5463 126.7397 55.7152 42.7299 178.5809 32 G 3.6983 8.2746 118.1175 46.9704 0.0000 171.5522 33 G 4.1082 7.7229 112.6107 45.2130 0.0000 171.1150 34 S 4.3056 6.5439 114.1130 58.9259 65.5421 174.8638 35 G 3.7797 8.6141 108.0836 44.9058 0.0000 172.0131 36 T 4.4040 8.2443 115.8615 61.4209 69.2670 173.1522 37 P 4.7166 0.0000 0.0000 63.3908 31.5027 177.0687 38 V 3.7163 8.7883 115.0400 63.6618 32.0923 174.9978 39 D 4.4982 7.5156 117.3654 51.5240 41.7578 175.6446 40 E 3.9223 8.7999 118.5823 59.6106 29.4203 178.3596 41 L 3.9436 8.0564 119.7244 58.4299 42.0332 178.3016 42 D 4.5404 9.0649 118.2084 57.5232 41.0503 178.4763 43 R 3.8190 8.1395 118.6961 59.1339 30.0253 178.2837 44 C 4.3155 8.4845 116.8301 60.3048 40.0404 175.5660 45 C 4.4934 8.4675 118.1179 59.9695 40.3067 175.6980 46 E 3.7543 8.4021 121.1965 59.5774 29.0704 179.0476 47 T 3.7760 8.0559 115.9317 66.8511 68.4815 176.1756 48 H 3.9108 8.2155 120.1626 59.1596 29.7943 177.1024 49 D 4.2927 8.4028 121.0746 57.4648 40.6411 178.5117 50 N 4.4043 8.4212 117.2257 56.3079 38.3964 176.7032 51 C 4.3545 8.2161 120.0099 60.0405 40.3928 175.3354 52 Y 4.0830 8.0672 118.2723 60.9034 37.1070 178.5665 53 R 3.9553 7.6980 118.9493 59.4719 30.6293 177.9308 54 D 4.4596 8.4247 118.6650 57.0721 40.7452 178.5007 55 A 3.6299 8.5074 121.6038 55.2372 18.3008 179.9345 56 K 3.8108 7.7703 114.8964 58.8099 32.1388 178.2588 57 N 4.6097 7.4744 114.3827 52.3070 39.5221 175.1571 58 L 4.1219 7.2817 122.4525 54.0596 42.8510 177.7649 59 D 4.3586 8.7162 123.0341 57.5127 40.5847 179.1264 60 S 4.3928 8.0107 112.7097 60.3840 63.2346 175.8883 61 C 4.7311 7.8072 119.9894 56.8520 38.8874 175.5346 62 K 3.6652 7.9356 123.9708 59.4753 31.5439 178.9519 63 F 4.3438 8.3405 114.1186 59.3761 37.6175 177.1362 64 L 3.6118 6.8373 118.9622 56.6197 41.2808 178.9697 65 V 3.6314 7.1897 118.2290 65.8799 31.5649 176.8612 66 D 4.7658 7.9038 115.1490 54.1766 43.4884 176.3138 67 N 4.1580 7.7888 115.8904 50.8701 39.0382 173.7350 68 P 4.0240 0.0000 0.0000 65.7202 31.9778 178.1204 69 Y 4.5104 6.8062 114.1624 57.9007 37.8645 175.8525 70 T 4.4463 7.5185 110.1244 61.8266 69.7503 174.5566 71 E 4.4853 7.7477 123.4299 56.0841 30.5163 175.3763 72 S 4.4732 7.9412 115.3423 57.8195 64.9591 174.0760 73 Y 5.0477 7.8470 123.2817 55.2848 41.2232 174.1933 74 S 5.2084 8.7715 115.1448 57.1460 65.7451 173.1416 75 Y 5.4608 8.4240 120.4688 56.0984 40.8500 173.7282 76 S 4.6747 9.2685 114.8826 56.5871 66.6448 171.8286 77 C 5.5630 8.6513 121.0165 55.0091 46.6195 173.2974 78 S 4.2779 8.9741 120.3086 57.1535 64.1502 172.9950 79 N 4.0756 9.7134 129.4623 54.9038 36.7079 174.6758 80 T 4.0947 7.8247 106.1223 62.6030 68.8288 172.6190 81 E 4.3861 8.1412 120.1311 55.2167 30.5762 180.2438 82 I 5.0068 8.2087 124.9927 59.2972 39.1968 175.4508 83 T 4.5920 8.8224 122.5011 61.8590 71.9305 172.5758 84 C 4.7951 8.8594 124.9214 56.3650 38.4033 173.3497 85 N 4.7320 9.2111 123.9280 53.4712 39.2000 176.0714 86 S 4.3490 8.9342 120.6065 60.2106 63.3680 175.2011 87 K 4.1757 9.0485 120.5061 58.4822 32.8649 177.3273 88 N 4.5241 7.8430 118.1018 53.6116 39.0902 175.2179 89 N 4.7302 9.3282 120.7509 51.6868 40.1196 175.9568 90 A 3.9975 8.5605 121.2151 55.7541 18.2176 180.2491 91 C 4.2690 8.2793 116.0140 60.0225 43.3294 175.3540 92 E 4.2209 9.2788 120.3667 59.4115 28.9951 179.2204 93 A 3.9563 8.6608 121.1351 55.0924 18.4924 179.3825 94 F 3.8794 8.2568 119.1096 61.6031 39.4900 177.4651 95 I 3.7258 7.9277 119.4286 64.4176 36.8216 177.5731 96 C 2.9801 8.1871 119.7109 59.2239 44.3877 175.1935 97 N 4.0116 8.0222 118.7015 56.5647 38.4882 176.2129 98 C 3.9959 7.7636 117.9010 60.0901 39.2340 175.8928 99 D 4.0111 7.9630 120.3285 57.1296 40.4148 178.8266 100 R 3.7082 8.0582 119.5386 59.5402 30.0636 178.2900 101 N 4.1965 8.1103 116.0773 56.2003 38.4930 177.3394 102 A 3.5275 7.7294 121.8239 54.7469 18.3868 179.4690 103 A 3.5000 7.9808 119.6274 55.2294 18.2078 179.9639 104 I 3.5589 7.3634 116.9548 64.5468 37.5470 177.4388 105 C 4.3539 8.1274 119.3678 59.8398 41.7059 175.6093 106 F 4.2883 8.4547 119.8741 60.6569 38.2248 177.7155 107 S 4.3373 8.0749 112.2578 60.1815 62.9269 174.8722 108 K 4.4164 7.6751 119.0235 55.8779 33.2942 175.7567 109 A 4.5234 7.5540 122.5788 49.8732 19.7416 175.7041 110 P 4.3537 0.0000 0.0000 62.9612 31.7579 175.2890 111 Y 4.2335 8.5578 121.2642 56.1774 39.4440 174.4992 112 N 4.8654 8.6621 129.2227 51.8122 38.7757 176.4179 113 K 3.9787 8.7673 126.7271 57.5456 31.8314 176.0301 114 E 4.2045 8.1094 113.5873 58.1808 29.5742 176.7818 115 H 4.6384 8.1105 116.8856 55.4646 29.2586 173.9770 116 K 4.2812 7.7551 119.5312 56.7833 32.7593 176.6140 117 N 4.3210 8.0251 115.3753 52.9223 36.7767 173.8389 118 L 4.1385 8.0353 122.9276 54.7776 42.3332 176.7955 119 D 4.3496 8.3511 126.3763 54.5181 47.3800 178.8092 *124 C 4.5193 8.6265 120.2183 57.4796 41.6159 174.0064 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 -7 Q 8.20 4.33 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.04 0.00 0.00 0.00 0.00 0.00 2.26 1.93 0.00 -6 E 7.91 4.15 0.00 2.04 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 2.43 2.48 0.00 -5 G 9.84 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 -4 I 8.71 3.51 1.76 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 1.09 0.12 0.79 0.00 0.00 -3 S 7.35 4.71 0.00 4.06 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 -2 S 8.94 4.43 0.00 3.95 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 -1 R 7.68 4.02 0.00 1.93 2.04 0.00 3.20 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 -6 A 7.73 4.12 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 -5 L 9.67 4.53 0.00 1.48 1.92 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 -4 W 8.96 4.00 0.00 3.23 3.32 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 -3 Q 7.36 4.58 0.00 2.29 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.05 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 -2 F 8.93 4.58 0.00 3.20 3.24 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 0.00 -1 R 7.68 4.02 0.00 1.93 2.04 0.00 3.20 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 7 S 7.77 4.18 0.00 4.21 4.11 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 0.00 0.00 0.00 0.00 8 M 7.87 4.03 0.00 2.12 1.82 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.43 0.00 9 I 7.42 3.60 1.82 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 -0.02 0.98 0.00 0.00 10 K 7.81 4.15 0.00 1.86 1.84 0.00 1.61 0.00 0.00 0.61 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.45 7.81 11 C 8.01 4.43 0.00 3.16 3.38 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 12 A 7.84 4.27 1.27 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 0.00 0.00 0.00 13 I 8.05 4.33 1.94 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.12 0.94 0.00 0.00 14 P 0.00 4.36 0.00 2.15 2.05 0.00 3.81 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 1.97 1.96 0.00 15 G 8.83 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 16 S 7.63 4.21 0.00 4.04 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 17 H 8.73 4.93 0.00 3.02 3.13 0.00 5.66 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.29 0.00 2.05 2.06 0.00 3.51 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 2.12 2.20 0.00 19 L 7.81 3.97 0.00 1.77 1.66 0.99 0.87 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 20 M 7.90 4.10 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 21 D 8.04 4.42 0.00 1.58 1.55 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.65 4.69 0.00 2.98 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 23 N 7.49 4.96 0.00 2.76 3.01 0.00 0.00 7.02 7.67 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 24 N 8.84 4.19 0.00 3.03 2.83 0.00 0.00 6.55 7.56 0.00 0.00 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 Y 7.96 4.72 0.00 3.03 2.69 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 26 G 8.18 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 0.00 0.00 0.00 27 C 9.33 4.51 0.00 3.14 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 28 Y 9.15 4.39 0.00 3.33 3.18 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 29 C 8.53 4.79 0.00 3.43 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 30 G 8.65 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 0.00 0.00 0.00 31 L 8.55 3.99 0.00 1.65 1.65 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.27 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 0.00 0.00 0.00 33 G 7.72 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 6.54 4.31 0.00 3.90 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 35 G 8.61 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.24 4.40 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 1.24 0.00 0.00 37 P 0.00 4.72 0.00 2.18 1.96 0.00 3.79 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 1.99 1.91 0.00 38 V 8.79 3.72 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.85 0.00 0.00 39 D 7.52 4.50 0.00 2.92 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 40 E 8.80 3.92 0.00 2.09 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 2.42 2.40 0.00 41 L 8.06 3.94 0.00 1.72 1.70 0.07 0.58 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 42 D 9.06 4.54 0.00 3.14 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 43 R 8.14 3.82 0.00 2.11 1.92 0.00 3.15 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.82 0.00 44 C 8.48 4.32 0.00 3.50 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 45 C 8.47 4.49 0.00 3.34 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 46 E 8.40 3.75 0.00 1.16 1.69 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 2.01 1.61 0.00 47 T 8.06 3.78 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 1.13 0.00 0.00 48 H 8.22 3.91 0.00 3.10 3.32 0.00 5.59 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.40 4.29 0.00 2.97 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 50 N 8.42 4.40 0.00 2.87 2.87 0.00 0.00 6.68 8.30 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 51 C 8.22 4.35 0.00 3.08 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 52 Y 8.07 4.08 0.00 3.06 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 53 R 7.70 3.96 0.00 1.97 2.19 0.00 3.29 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 54 D 8.42 4.46 0.00 3.24 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 55 A 8.51 3.63 1.53 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 56 K 7.77 3.81 0.00 1.85 1.82 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.64 7.81 57 N 7.47 4.61 0.00 2.78 2.78 0.00 0.00 7.02 7.42 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 58 L 7.28 4.12 0.00 1.61 1.39 0.06 0.56 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 59 D 8.72 4.36 0.00 2.65 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 60 S 8.01 4.39 0.00 4.07 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 C 7.81 4.73 0.00 3.04 2.81 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 62 K 7.94 3.67 0.00 1.87 1.88 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.59 7.81 63 F 8.34 4.34 0.00 3.21 3.25 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 64 L 6.84 3.61 0.00 1.34 1.43 0.62 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.19 3.63 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 0.79 0.00 0.00 0.87 0.00 0.00 66 D 7.90 4.77 0.00 2.66 2.69 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 67 N 7.79 4.16 0.00 2.63 2.35 0.00 0.00 6.62 8.02 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 68 P 0.00 4.02 0.00 2.36 2.30 0.00 3.32 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.92 0.00 69 Y 6.81 4.51 0.00 3.12 3.18 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 70 T 7.52 4.45 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 1.25 0.00 0.00 71 E 7.75 4.49 0.00 2.06 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 2.56 2.45 0.00 72 S 7.94 4.47 0.00 3.82 3.67 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 73 Y 7.85 5.05 0.00 3.26 3.01 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 74 S 8.77 5.21 0.00 3.88 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 75 Y 8.42 5.46 0.00 3.11 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 76 S 9.27 4.67 0.00 3.85 3.94 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 77 C 8.65 5.56 0.00 3.15 3.01 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 78 S 8.97 4.28 0.00 3.84 3.68 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 79 N 9.71 4.08 0.00 2.82 2.78 0.00 0.00 7.28 7.70 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 80 T 7.82 4.09 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 81 E 8.14 4.39 0.00 1.91 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 2.21 2.14 0.00 82 I 8.21 5.01 1.84 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 1.38 1.02 0.85 0.00 0.00 83 T 8.82 4.59 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 1.24 0.00 0.00 84 C 8.86 4.80 0.00 2.81 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 85 N 9.21 4.73 0.00 2.88 2.82 0.00 0.00 6.57 7.59 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 86 S 8.93 4.35 0.00 4.03 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 87 K 9.05 4.18 0.00 1.87 2.03 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.69 1.45 7.81 88 N 7.84 4.52 0.00 2.88 2.97 0.00 0.00 7.00 8.11 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 89 N 9.33 4.73 0.00 2.99 2.99 0.00 0.00 6.69 7.29 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 90 A 8.56 4.00 1.37 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 0.00 0.00 91 C 8.28 4.27 0.00 3.28 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.28 4.22 0.00 2.12 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 0.00 2.56 2.75 0.00 93 A 8.66 3.96 1.42 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 0.00 0.00 94 F 8.26 3.88 0.00 3.30 3.22 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 95 I 7.93 3.73 2.00 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 1.32 0.78 0.99 0.00 0.00 96 C 8.19 2.98 0.00 2.24 2.85 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 97 N 8.02 4.01 0.00 2.70 2.56 0.00 0.00 7.22 7.22 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 98 C 7.76 4.00 0.00 3.17 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 99 D 7.96 4.01 0.00 2.76 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 0.00 100 R 8.06 3.71 0.00 1.73 1.88 0.00 3.02 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 101 N 8.11 4.20 0.00 2.65 2.71 0.00 0.00 6.98 6.66 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 0.00 102 A 7.73 3.53 0.94 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 0.00 0.00 103 A 7.98 3.50 1.24 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 0.00 0.00 0.00 104 I 7.36 3.56 1.91 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 1.35 0.62 0.87 0.00 0.00 105 C 8.13 4.35 0.00 3.07 3.13 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 0.00 106 F 8.45 4.29 0.00 2.78 2.38 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 0.00 107 S 8.07 4.34 0.00 4.06 4.11 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 0.00 0.00 0.00 0.00 108 K 7.68 4.42 0.00 1.77 1.87 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.49 7.81 109 A 7.55 4.52 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.35 0.00 2.23 2.11 0.00 3.88 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 111 Y 8.56 4.23 0.00 2.97 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 0.00 112 N 8.66 4.87 0.00 2.52 2.49 0.00 0.00 6.70 7.19 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 0.00 113 K 8.77 3.98 0.00 1.68 1.84 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.02 7.81 114 E 8.11 4.20 0.00 2.03 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 2.15 2.12 0.00 115 H 8.11 4.64 0.00 2.45 2.52 0.00 5.62 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.76 4.28 0.00 1.74 1.75 0.00 1.93 0.00 0.00 1.83 0.00 0.00 3.54 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.63 1.52 7.81 117 N 8.03 4.32 0.00 2.78 2.79 0.00 0.00 6.86 7.87 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 0.00 118 L 8.04 4.14 0.00 1.53 1.35 0.73 0.92 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 0.00 119 D 8.35 4.35 0.00 2.64 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 0.00 0.00 0.00 0.00 *124 C 8.63 4.52 0.00 2.90 3.17 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.