NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 H 4.7631 8.3027 120.3904 55.8101 31.2548 173.0338 13 R 3.7390 8.9066 127.4143 59.4290 29.7569 176.7133 14 R 3.8410 8.4796 118.5858 59.6215 30.4400 178.2900 15 D 4.3400 7.7991 117.8427 57.1696 40.8404 178.7332 16 L 3.9810 7.6050 118.5113 57.9987 41.6077 179.2916 17 C 4.2361 8.0900 116.6415 62.7400 27.9889 176.4426 18 S 4.1963 8.2544 117.1536 61.4790 62.4349 176.7248 19 R 4.0025 8.2420 120.9787 59.6483 29.8546 179.3964 20 S 4.2912 8.2547 114.7392 61.5842 62.7517 176.9146 21 I 3.8627 8.0919 122.8263 63.9834 36.8402 178.1898 22 W 4.1077 8.4875 129.3018 60.3482 30.5863 177.7131 23 L 3.7361 8.4009 120.0575 58.0775 41.5885 178.6087 24 A 3.7949 8.2450 120.6865 55.4605 18.2298 179.9226 25 R 3.7936 7.9183 116.3723 59.0761 30.0447 179.2197 26 K 3.5350 7.5294 119.5662 59.2697 31.9130 179.0329 27 I 3.5943 7.5886 120.2245 63.9977 36.9911 178.2587 28 R 3.7424 7.6837 119.5851 59.4871 29.6978 178.5068 29 S 4.0298 8.0874 115.0602 61.7976 62.7960 176.2530 30 D 4.4142 7.8399 121.1950 57.7375 40.6714 179.1756 31 L 3.9141 8.0058 119.1329 57.9504 41.4982 179.7889 32 T 3.7652 7.6970 115.0186 66.5774 68.4514 176.4731 33 A 3.9256 7.5458 121.0582 55.0076 18.4091 179.3218 34 L 3.9160 8.1682 119.2113 58.7303 42.1046 179.3003 35 T 3.8729 8.3085 115.8769 66.5039 68.3381 175.8699 36 E 3.9124 8.0825 121.2087 59.6226 29.5536 179.0406 37 S 3.9496 7.9509 114.6407 61.7454 63.0060 175.8836 38 Y 3.9170 8.3331 122.4022 60.9518 38.6193 178.5744 39 V 3.5851 8.2201 119.2168 65.9350 31.4124 177.9175 40 K 3.9719 7.9934 118.4541 59.6270 32.0722 178.1642 41 H 4.4872 8.2267 116.1461 57.9491 28.8234 176.8291 42 Q 4.2181 7.9183 118.0866 55.0894 29.2826 175.6162 43 G 3.8689 8.1690 107.1049 46.8856 0.0000 174.4781 44 L 4.6180 7.1577 122.0115 54.2225 41.0795 178.6821 *67 L 4.0417 8.3922 127.0891 55.3786 42.6351 177.1612 68 T 4.1230 8.1872 113.7881 61.1777 70.9883 174.8092 69 E 4.0535 9.0784 123.9793 60.0429 29.6240 179.4932 70 A 3.4861 7.7436 119.7658 54.8958 18.2658 179.3331 71 E 3.9064 7.7924 117.3825 59.3224 29.5443 179.5439 72 R 3.9549 8.2914 118.5318 59.3660 30.1553 178.8270 73 L 4.0630 7.8063 118.2784 58.0690 41.5888 179.5339 74 Q 4.0002 8.0197 117.6221 59.2122 28.6412 178.8508 75 E 4.0481 8.6083 119.6673 59.8249 29.5136 179.3682 76 N 4.0547 8.5140 116.2570 56.0038 38.6106 177.1677 77 L 3.9333 8.1743 121.8497 58.1936 42.1949 178.5981 78 Q 3.8896 8.2863 119.3571 59.2372 28.8989 178.0329 79 A 3.4620 7.8642 121.6461 55.6235 17.7590 179.3926 80 Y 3.9722 8.3191 114.7072 60.8639 37.3564 178.9940 81 R 4.0297 8.1615 119.5296 59.2729 30.0592 179.1516 82 T 3.7849 7.9754 115.6807 66.7529 68.4570 176.6008 83 F 4.0592 7.9844 120.0196 61.0725 38.9820 177.2914 84 H 4.0394 8.2530 117.4786 59.2068 29.5653 177.5926 85 V 3.6725 7.4985 119.1409 65.8238 31.1739 178.0246 86 L 4.0621 7.9125 117.7958 57.8111 41.8129 179.1959 87 L 4.0480 8.3120 118.9730 57.6710 41.5518 179.3123 88 A 3.9697 7.7503 120.1077 55.4323 18.2209 179.8185 89 R 4.0695 8.0035 114.0632 58.4019 30.1343 178.7947 90 L 4.2349 7.8773 118.7620 56.0402 41.9980 177.0681 91 L 4.5352 7.2014 118.0594 53.3417 43.0186 176.4120 *102 E 4.4634 8.5834 120.3925 56.4095 31.7463 178.6446 103 G 3.6380 8.0100 105.2332 47.7055 0.0000 175.5237 104 D 4.4634 8.1128 120.7545 56.9893 40.8529 178.4073 105 F 4.3478 8.3138 120.9342 61.5967 39.4817 176.7177 106 H 3.8448 8.1165 115.5944 58.8187 28.5075 177.5858 107 Q 3.9463 8.0425 121.0994 59.0199 28.8990 178.1263 108 A 3.9219 8.4437 122.1408 55.3506 18.3900 179.7578 109 I 3.4596 7.7202 118.6171 64.4219 36.9628 178.5472 110 H 4.2233 7.8781 117.2603 59.1980 28.5765 177.8299 111 T 3.8644 7.7959 117.4811 66.6027 68.1977 176.3118 112 L 4.2357 7.7552 123.4345 57.6626 42.0430 179.0686 113 L 3.8780 8.0662 119.1173 57.7628 41.5292 179.5385 114 L 4.0855 8.0404 119.0077 57.5751 41.3590 179.6507 115 Q 3.9966 8.1135 118.1913 59.0650 28.9163 178.5282 116 V 3.7320 8.0638 119.2965 66.1080 31.4404 177.9799 117 A 3.6833 8.2224 120.0022 55.1595 18.3074 179.4265 118 A 4.0696 8.0452 119.2570 55.2060 18.3103 179.6714 119 F 3.8364 8.6355 119.3415 61.4340 39.5602 177.0325 120 A 3.8898 7.8596 119.9433 55.6252 18.1627 179.1993 121 Y 4.3945 7.7564 114.9690 61.2537 37.8939 178.9599 122 Q 3.9132 7.9527 118.9882 59.0920 28.8639 178.5610 123 I 3.5381 7.3988 120.7697 64.5018 37.0729 178.1738 124 E 3.9904 8.1616 119.0798 59.7086 29.3652 179.4407 125 E 4.0317 8.0740 118.2358 59.0345 29.3317 179.2648 126 L 3.9623 7.9353 120.7505 58.1947 42.1165 178.8135 127 M 4.2207 8.2012 118.6735 58.6798 31.9861 178.7847 128 I 3.6771 7.7690 119.8741 64.2206 36.9906 178.3000 129 L 3.9623 7.6072 120.3298 57.9292 41.9934 178.1404 130 L 4.1543 7.8162 116.3592 53.6160 41.6997 176.3702 131 E 3.7478 7.4364 116.2867 57.5966 27.6320 174.0901 132 Y 4.9837 8.0765 114.8696 56.2124 39.8942 175.6724 133 K 4.2669 8.5555 124.4718 55.5484 32.9098 176.4723 134 I 4.0057 8.3101 128.1469 60.1749 37.6536 174.3158 135 P 4.4518 0.0000 0.0000 62.9079 32.0275 176.8162 136 R 4.0959 8.2277 118.3002 55.9976 29.9726 177.3316 137 N 4.6329 8.3509 121.0238 52.0080 40.5082 174.2075 *152 F 5.0739 8.3499 120.5307 58.2306 41.2856 176.5053 153 E 3.9200 8.2506 119.7023 59.2964 29.1997 179.0199 154 K 4.2009 8.0578 118.9260 58.8756 32.1942 179.1083 155 K 4.0178 7.8293 118.6956 59.3957 32.0850 178.9867 156 L 3.9318 7.5909 119.1287 57.5234 41.4855 179.2885 157 W 4.5442 8.4493 128.3788 60.5473 30.6381 177.8776 158 G 4.0714 8.1616 106.8891 47.0817 0.0000 175.1696 159 L 3.5974 7.5802 123.1325 57.4652 42.0469 178.7812 160 K 3.7059 7.9714 119.6368 59.6043 32.0988 178.8346 161 V 3.2586 7.1611 118.4303 65.7335 31.4301 177.9872 162 L 3.7529 7.4946 118.6928 57.7819 41.5564 179.5027 163 Q 3.9143 8.1496 118.2317 59.0361 28.7113 178.6877 164 E 4.0487 8.3888 119.8799 59.3849 29.6000 179.2508 165 L 2.9332 7.6698 120.3169 57.6181 42.1210 179.2233 166 S 3.9931 7.6304 114.7481 61.7238 62.8303 176.6750 167 Q 4.0384 7.8988 120.2898 58.7717 28.3126 178.9827 168 W 3.9587 8.0110 119.7327 59.5474 29.0510 178.6753 169 T 4.0734 7.8736 111.0115 63.8260 68.2718 177.0931 170 V 3.5093 7.3397 120.2561 65.8551 31.5511 177.7653 171 R 3.6133 7.4772 117.9254 59.5044 29.6978 178.4262 172 S 4.4419 8.5395 115.0553 62.0829 63.0793 176.7990 173 I 3.7972 7.9333 122.2057 64.7581 36.8858 178.3226 174 H 4.3715 8.2380 116.6761 58.9887 28.5485 177.5697 175 D 4.4825 8.4951 120.8639 57.3163 40.5991 178.7986 176 L 4.2264 8.4303 119.6881 57.4217 41.6128 179.7006 177 R 3.9870 7.8001 117.1516 59.2075 29.8460 178.6717 178 F 4.1947 8.0524 118.9718 61.2249 39.4402 177.0518 179 I 3.9983 7.7962 119.7258 64.1168 36.8480 178.3881 180 S 4.1536 8.0456 114.0205 61.1730 63.1956 176.4877 181 S 4.6671 7.8789 117.7596 58.2259 63.6138 176.0701 182 H 3.9431 7.7950 123.0571 60.1795 29.9558 177.4578 183 Q 4.0009 7.9869 117.2895 58.1053 28.7821 177.3769 184 T 4.2864 7.2203 103.2762 60.4436 70.3914 174.5988 185 G 4.4404 7.9135 108.8839 47.4133 0.0000 175.3817 186 I 3.8436 7.8788 120.0704 63.5302 37.6852 174.7231 187 P 4.4289 0.0000 0.0000 62.7869 31.1650 176.4149 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 12 H 8.30 4.76 0.00 3.15 3.24 0.00 5.68 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.91 3.74 0.00 1.98 1.92 0.00 3.24 0.00 0.00 3.71 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 14 R 8.48 3.84 0.00 1.52 1.88 0.00 3.20 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 15 D 7.80 4.34 0.00 2.76 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 16 L 7.61 3.98 0.00 1.90 1.69 0.98 0.85 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 17 C 8.09 4.24 0.00 3.19 3.02 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 18 S 8.25 4.20 0.00 4.04 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 19 R 8.24 4.00 0.00 2.05 2.03 0.00 3.12 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 20 S 8.25 4.29 0.00 4.01 3.84 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 21 I 8.09 3.86 2.14 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.08 0.99 0.00 0.00 22 W 8.49 4.11 0.00 3.45 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 23 L 8.40 3.74 0.00 2.16 2.10 1.03 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.24 3.79 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 25 R 7.92 3.79 0.00 1.84 1.84 0.00 3.14 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 26 K 7.53 3.53 0.00 0.79 1.25 0.00 1.39 0.00 0.00 1.33 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.86 1.22 7.81 27 I 7.59 3.59 1.88 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 1.46 0.54 0.74 0.00 0.00 28 R 7.68 3.74 0.00 1.92 1.98 0.00 3.06 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 29 S 8.09 4.03 0.00 3.93 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 30 D 7.84 4.41 0.00 2.86 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 31 L 8.01 3.91 0.00 1.70 1.61 0.71 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.70 3.77 4.36 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 1.19 0.00 0.00 33 A 7.55 3.93 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 34 L 8.17 3.92 0.00 1.82 1.73 1.09 0.72 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 35 T 8.31 3.87 4.24 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 1.19 0.00 0.00 36 E 8.08 3.91 0.00 2.37 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 2.31 2.41 0.00 37 S 7.95 3.95 0.00 4.17 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 38 Y 8.33 3.92 0.00 3.13 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 39 V 8.22 3.59 2.23 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 0.93 0.00 0.00 1.08 0.00 0.00 40 K 7.99 3.97 0.00 1.90 1.81 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.59 7.81 41 H 8.23 4.49 0.00 3.10 3.17 0.00 5.70 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 7.92 4.22 0.00 1.79 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.41 0.00 0.00 0.00 0.00 0.00 1.65 1.48 0.00 43 G 8.17 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 44 L 7.16 4.62 0.00 1.70 1.18 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 *67 L 8.39 4.04 0.00 1.47 1.56 0.92 0.77 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 68 T 8.19 4.12 4.26 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 1.26 0.00 0.00 69 E 9.08 4.05 0.00 2.25 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 0.00 2.72 2.64 0.00 70 A 7.74 3.49 0.38 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 71 E 7.79 3.91 0.00 2.12 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 0.00 2.29 2.29 0.00 72 R 8.29 3.95 0.00 2.06 2.05 0.00 3.06 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.79 0.00 73 L 7.81 4.06 0.00 1.92 1.78 1.15 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 8.02 4.00 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 75 E 8.61 4.05 0.00 2.38 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 2.48 2.45 0.00 76 N 8.51 4.05 0.00 3.13 3.10 0.00 0.00 6.70 6.09 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 77 L 8.17 3.93 0.00 1.89 1.83 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.29 3.89 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 79 A 7.86 3.46 0.22 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 80 Y 8.32 3.97 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 81 R 8.16 4.03 0.00 2.09 1.96 0.00 3.13 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 82 T 7.98 3.78 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 1.01 0.00 0.00 83 F 7.98 4.06 0.00 2.92 2.82 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 84 H 8.25 4.04 0.00 3.40 3.46 0.00 5.58 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.50 3.67 2.23 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 1.07 0.00 0.00 1.00 0.00 0.00 86 L 7.91 4.06 0.00 1.91 1.73 1.07 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.31 4.05 0.00 1.81 1.61 0.82 0.45 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 88 A 7.75 3.97 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 89 R 8.00 4.07 0.00 1.94 2.08 0.00 3.21 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.84 0.00 90 L 7.88 4.23 0.00 1.81 1.78 0.88 0.99 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 91 L 7.20 4.54 0.00 1.67 1.46 0.69 0.38 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 *102 E 8.58 4.46 0.00 2.07 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 0.00 2.27 2.30 0.00 103 G 8.01 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 0.00 104 D 8.11 4.46 0.00 2.78 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 0.00 105 F 8.31 4.35 0.00 3.17 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.12 3.84 0.00 3.40 3.26 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Q 8.04 3.95 0.00 2.17 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 108 A 8.44 3.92 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.72 3.46 1.55 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 -0.15 0.65 0.00 0.00 110 H 7.88 4.22 0.00 3.38 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 T 7.80 3.86 4.33 0.00 0.00 0.00 0.00 0.00 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 0.00 112 L 7.76 4.24 0.00 1.81 1.74 0.85 0.28 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 0.00 113 L 8.07 3.88 0.00 1.87 1.62 0.88 0.65 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 0.00 114 L 8.04 4.09 0.00 1.90 1.76 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.11 4.00 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 116 V 8.06 3.73 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 1.13 0.00 0.00 0.93 0.00 0.00 117 A 8.22 3.68 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 0.00 118 A 8.05 4.07 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 0.00 119 F 8.64 3.84 0.00 3.10 3.04 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 0.00 120 A 7.86 3.89 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 0.00 121 Y 7.76 4.39 0.00 3.14 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 0.00 122 Q 7.95 3.91 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 123 I 7.40 3.54 1.89 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.66 0.90 0.00 0.00 124 E 8.16 3.99 0.00 2.24 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 2.38 2.58 0.00 125 E 8.07 4.03 0.00 2.17 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 2.31 2.31 0.00 126 L 7.94 3.96 0.00 1.87 1.83 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 127 M 8.20 4.22 0.00 2.24 2.31 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.70 0.00 128 I 7.77 3.68 1.99 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 1.61 1.31 0.90 0.00 0.00 129 L 7.61 3.96 0.00 1.69 1.88 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 130 L 7.82 4.15 0.00 1.46 0.69 0.87 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 131 E 7.44 3.75 0.00 1.90 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 2.21 2.26 0.00 132 Y 8.08 4.98 0.00 3.06 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 0.00 133 K 8.56 4.27 0.00 1.77 1.76 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.43 7.81 134 I 8.31 4.01 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 1.51 0.69 0.94 0.00 0.00 135 P 0.00 4.45 0.00 2.18 2.06 0.00 3.78 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 136 R 8.23 4.10 0.00 1.86 1.76 0.00 3.26 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 137 N 8.35 4.63 0.00 2.70 2.78 0.00 0.00 6.99 7.02 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 *152 F 8.35 5.07 0.00 3.07 3.11 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 0.00 153 E 8.25 3.92 0.00 2.06 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 2.42 2.42 0.00 154 K 8.06 4.20 0.00 1.95 1.88 0.00 1.74 0.00 0.00 1.91 0.00 0.00 3.15 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.62 1.75 7.81 155 K 7.83 4.02 0.00 1.87 1.79 0.00 1.87 0.00 0.00 2.30 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.59 7.81 156 L 7.59 3.93 0.00 1.79 1.68 0.60 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 157 W 8.45 4.54 0.00 3.52 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 0.00 158 G 8.16 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 0.00 159 L 7.58 3.60 0.00 1.91 1.92 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 160 K 7.97 3.71 0.00 1.84 1.49 0.00 1.50 0.00 0.00 1.56 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.24 7.81 161 V 7.16 3.26 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 -0.15 0.00 0.00 162 L 7.49 3.75 0.00 1.68 1.51 0.61 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 163 Q 8.15 3.91 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.61 0.00 164 E 8.39 4.05 0.00 2.26 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 2.52 2.47 0.00 165 L 7.67 2.93 0.00 1.03 1.41 -0.37 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 166 S 7.63 3.99 0.00 3.99 3.81 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 0.00 167 Q 7.90 4.04 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 168 W 8.01 3.96 0.00 3.50 3.07 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 0.00 169 T 7.87 4.07 4.31 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 1.18 0.00 0.00 170 V 7.34 3.51 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 0.87 0.00 0.00 0.92 0.00 0.00 171 R 7.48 3.61 0.00 1.35 1.39 0.00 2.76 0.00 0.00 2.53 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.29 0.00 172 S 8.54 4.44 0.00 4.19 4.24 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 0.00 173 I 7.93 3.80 2.13 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 1.58 1.35 0.95 0.00 0.00 174 H 8.24 4.37 0.00 3.39 3.36 0.00 5.82 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 D 8.50 4.48 0.00 2.96 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 0.00 176 L 8.43 4.23 0.00 1.80 1.80 1.13 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 177 R 7.80 3.99 0.00 2.14 2.02 0.00 3.21 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 178 F 8.05 4.19 0.00 3.07 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 0.00 179 I 7.80 4.00 2.11 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.67 1.00 0.00 0.00 180 S 8.05 4.15 0.00 4.02 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 0.00 181 S 7.88 4.67 0.00 4.06 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 0.00 182 H 7.80 3.94 0.00 3.07 3.23 0.00 5.78 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 Q 7.99 4.00 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 184 T 7.22 4.29 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 1.19 0.00 0.00 185 G 7.91 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 I 7.88 3.84 1.86 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 1.40 0.71 0.91 0.00 0.00 187 P 0.00 4.43 0.00 2.05 1.97 0.00 3.70 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 2.03 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.