NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5247 8.3349 117.1089 57.4606 64.0745 173.1696 3 L 4.1477 8.2342 120.5154 53.9256 42.1772 174.8646 4 P 4.3137 0.0000 0.0000 63.6024 32.7413 175.9021 5 M 4.4832 8.7885 123.5332 54.7627 34.1869 174.6206 6 L 5.0197 9.0583 122.3234 53.3834 44.8119 174.6125 7 Q 5.0228 8.9434 127.9897 54.1852 31.6615 174.2616 8 V 4.5147 8.3690 126.4618 60.5490 33.4889 174.8201 9 A 4.4822 8.3304 127.5597 51.0727 19.6600 177.5256 10 L 4.2928 8.9152 124.7756 53.2227 41.5850 177.4946 11 D 5.0806 7.9189 130.4521 53.5789 41.4991 176.3880 12 N 4.9548 7.6418 115.9523 52.4847 40.3225 176.7795 13 Q 4.1766 8.4146 118.9612 57.6958 29.8090 175.9760 14 T 4.7685 7.3276 107.3497 59.0961 73.2605 174.4666 15 M 3.6606 9.0465 122.8741 58.4413 32.0400 178.9498 16 D 4.3030 7.7987 118.8369 56.3611 39.1411 178.3914 17 S 4.0228 7.6262 113.1158 61.1177 62.3240 175.9496 18 A 3.8326 7.6663 123.1268 55.5320 18.0576 179.2844 19 Y 4.8114 7.8082 116.4737 60.6957 37.6446 178.3400 20 E 4.0395 8.0264 118.7596 59.3968 29.7973 179.2425 21 T 4.1826 7.4277 115.6281 66.6179 69.0492 177.3069 22 T 3.8624 8.2470 112.0747 64.6985 68.4305 176.4619 23 R 4.1016 8.1745 118.0447 58.5277 29.4693 178.4756 24 L 4.3095 7.8430 119.0614 56.5544 42.4773 177.8844 25 I 4.3842 7.4515 109.4469 60.2227 37.9070 176.7790 26 A 3.6127 7.6883 124.6916 55.5406 18.0875 178.6362 27 E 4.3932 7.9920 111.3681 56.6251 29.6524 176.5363 28 E 4.5016 8.2922 118.1563 56.1894 30.3675 175.7050 29 V 4.5383 7.1984 110.8052 59.6418 35.6972 174.8016 30 D 4.6187 8.8126 120.6433 55.8456 42.0059 177.6302 31 I 4.4623 7.4638 118.1852 59.3152 40.8908 174.8521 32 I 4.3671 8.5490 128.0914 59.7642 38.6237 174.2248 33 E 4.6356 8.8919 130.0149 54.9921 31.2233 175.4603 34 V 4.0917 8.9186 128.4724 61.8716 31.9640 175.6595 35 G 4.4076 8.7195 115.8902 45.3896 0.0000 173.1166 36 T 4.0020 8.6955 117.3172 66.8214 68.3572 176.9239 37 I 3.6612 7.8046 121.0694 64.2125 37.0995 178.0283 38 L 4.2483 7.6913 122.0446 57.3653 41.9790 178.4262 39 C 4.0406 8.3356 117.2615 62.9206 27.8564 176.3238 40 V 3.6953 7.9228 118.9705 65.6031 31.1448 178.1256 41 G 3.8181 7.9399 106.3485 46.6226 0.0000 174.7003 42 E 4.5807 8.2382 118.0315 55.3651 31.9993 177.2592 43 G 3.8368 8.4185 108.3750 44.8276 0.0000 174.1161 44 V 3.7642 8.0710 117.2510 63.5277 31.3435 177.8487 45 R 3.9194 8.1178 117.0171 59.5115 28.9119 178.3312 46 A 3.9694 8.1051 121.4389 54.8684 18.2297 179.7926 47 V 3.4556 7.6063 116.6175 66.1086 31.6681 178.1398 48 R 4.4718 7.8245 119.2054 59.1243 30.0613 178.0587 49 D 4.3436 8.4438 118.8836 57.4419 40.8708 178.8290 50 L 4.1550 8.0530 119.5761 57.6687 41.3056 179.4831 51 K 3.9849 8.4349 119.6681 59.3717 31.8733 178.7835 52 A 3.9702 7.7919 120.4767 55.0372 18.3291 179.3229 53 L 3.7507 7.4801 116.5211 56.6782 42.9912 177.2827 54 Y 4.9945 7.5361 115.2263 56.2107 38.3259 174.8704 55 P 4.5254 0.0000 0.0000 65.0049 32.1856 177.8158 56 H 4.4506 8.3234 112.9297 56.6132 29.0709 175.1755 57 K 4.3772 7.4072 119.8373 54.5264 33.7720 176.1345 58 I 3.7382 7.8783 122.7264 61.4113 38.1833 174.9231 59 V 4.6557 8.9124 127.6838 60.9052 33.9428 173.7534 60 L 5.1000 8.7177 130.1077 53.2713 44.4296 174.7378 61 A 4.6110 8.9909 129.2578 50.1756 19.8960 176.8961 62 D 4.8478 8.4450 127.4940 53.8822 38.1543 176.5873 63 A 3.9897 7.8534 122.5481 52.8842 19.8308 177.8191 64 K 3.6966 7.8749 114.6632 57.0435 30.3073 176.1915 65 I 3.6106 7.6551 118.9619 61.9937 37.6849 177.3857 66 A 4.3358 8.1877 127.3512 52.5903 20.1053 175.3219 67 D 4.2284 8.2862 111.9263 54.7365 44.1234 174.4478 68 A 3.7501 8.2588 121.0984 52.8911 16.1071 179.5414 69 G 3.7016 8.1592 109.7477 48.7360 0.0000 175.1752 70 K 4.0872 7.9928 120.5391 59.0320 32.1800 179.4801 71 I 3.7238 7.6470 119.5337 64.4996 37.3549 178.3701 72 L 4.0001 8.1266 120.1857 57.7179 41.2879 179.7954 73 S 4.0068 8.0914 114.3371 61.3786 62.9707 176.5111 74 R 3.9044 8.1619 122.3998 59.3256 29.7008 178.1371 75 M 3.9795 8.0552 118.4461 58.8224 31.9743 178.6936 76 C 3.9636 7.7300 116.0223 62.8347 28.2672 176.2492 77 F 4.1163 8.0732 119.7103 60.4053 38.0983 177.6464 78 E 4.0707 8.3566 117.4821 58.8013 29.5789 178.1960 79 A 4.3274 7.5102 119.2749 51.8910 18.2896 177.6935 80 N 4.3275 8.0663 114.0911 53.9558 36.4575 174.6595 81 A 4.0932 7.5249 120.6406 52.9266 19.1989 178.2395 82 D 4.8637 9.0893 121.0399 56.0084 42.5231 176.8795 83 W 5.9678 7.9890 116.1991 55.1011 33.7260 174.9558 84 V 5.1790 8.9274 114.7518 58.6943 35.7373 174.5866 85 T 4.9932 8.2928 112.6367 60.1030 71.6417 173.2262 86 V 4.7626 8.2502 123.6447 60.9345 34.5322 174.6383 87 I 4.1262 8.4463 128.4826 60.5778 38.5723 176.5314 88 C 3.8968 8.3392 123.5383 61.2624 29.4030 174.7897 89 C 4.3812 8.0283 112.6640 59.1162 29.8706 173.7262 90 A 4.1121 7.6768 124.1899 51.8571 18.6930 176.7977 91 D 4.4811 8.6911 120.1695 54.5959 41.9891 177.5204 92 I 3.8164 8.5624 124.4642 64.4641 37.7876 177.8732 93 N 4.5175 8.8965 117.2492 55.8986 37.7344 177.6015 94 T 3.8567 8.0689 117.6713 66.5881 68.5771 176.5026 95 A 4.0250 8.0010 122.1790 55.0850 18.4440 179.6630 96 K 4.0694 8.3129 117.1712 59.5786 32.2038 179.8825 97 G 3.6085 8.4667 106.0456 47.7050 0.0000 175.6402 98 A 4.2413 8.1711 124.6424 54.3234 18.3586 179.4966 99 L 3.9303 8.1899 118.9424 58.3037 41.9233 178.9297 100 D 4.3463 8.0694 118.0278 57.3330 41.2119 178.6656 101 V 3.8011 7.8453 118.3049 65.9304 31.5449 177.6110 102 A 2.9380 8.2249 120.8098 55.1711 18.2880 179.7847 103 K 3.9071 8.1842 116.6848 59.6441 31.8392 179.3947 104 E 3.9026 7.8479 117.6518 58.5956 29.3465 178.3641 105 F 4.4245 7.7088 114.4412 55.8115 39.6611 175.0291 106 N 4.1597 7.7034 114.6871 54.3381 36.8824 173.9506 107 G 4.4360 7.7691 107.1433 45.6828 0.0000 172.8838 108 D 4.9008 8.9436 118.0162 53.3670 45.4348 175.2692 109 V 4.9268 8.2247 120.8406 61.1123 34.2638 174.4258 110 Q 4.6907 8.6423 125.6010 54.0655 32.1112 174.5776 111 I 4.1027 7.6549 123.7819 60.1449 38.7498 174.4151 112 D 4.5282 8.7172 128.4395 52.9947 42.3333 176.7203 113 L 4.2858 7.9990 128.7555 54.5701 41.5201 177.3096 114 T 4.1316 7.7702 115.9615 64.4504 69.8897 176.6891 115 G 3.8264 8.7935 114.9531 46.3636 0.0000 172.7319 *116 Y 4.4080 8.3315 121.3033 55.1562 37.9724 171.7639 117 W 5.2557 7.8202 120.8968 53.6743 31.5282 173.9007 118 T 4.3159 8.1149 108.1540 58.9420 72.5415 174.8274 119 W 4.5228 8.3892 123.6363 60.4456 29.0201 179.3327 120 E 4.0516 8.2101 118.2071 61.1144 29.2259 182.9269 121 Q 3.7625 7.7429 118.8124 58.5494 28.6844 178.7889 122 A 3.4513 7.2917 121.1389 54.9987 18.3524 179.4231 123 Q 3.9835 8.1497 118.0144 59.4497 29.1375 178.4330 124 Q 3.9991 7.8705 119.0089 58.7997 28.7585 178.9338 125 W 4.5510 7.9180 119.8241 60.0598 29.1656 178.7874 126 R 4.1274 8.3817 117.8562 59.5520 29.3057 178.8233 127 D 4.3946 8.3378 117.4605 57.1888 40.8974 178.1237 128 A 4.3812 7.9430 119.0260 52.6525 18.7899 178.0884 129 G 3.9642 7.9538 105.7415 45.1170 0.0000 173.7979 130 I 3.9270 7.8834 120.8844 61.2022 37.5151 176.1703 131 G 4.2174 8.7302 110.2629 46.1078 0.0000 172.3758 132 Q 5.1451 7.8714 119.1159 54.2452 33.2525 174.3789 133 V 4.4496 8.4220 115.4045 59.4148 36.4672 175.0045 134 V 4.4554 8.1850 123.9194 61.2496 33.1483 174.3672 135 Y 4.3175 8.9636 131.7647 57.6118 39.5841 173.9195 136 H 5.2170 8.1575 126.9161 54.1463 32.3980 172.7215 137 R 3.9479 8.9974 127.8596 55.6780 31.1194 175.9302 138 S 4.1211 8.5890 121.1592 58.4018 63.2503 175.3829 139 V 3.7902 8.3006 120.3719 64.4285 31.3814 178.5484 140 D 4.3526 8.0092 118.3125 56.9225 40.7672 178.3878 141 A 3.9048 7.9300 121.4534 55.1705 18.4178 179.2195 142 Q 3.9802 8.3877 118.3054 59.5825 28.8260 178.7735 143 A 4.0808 7.8996 120.0995 54.4808 18.4135 178.4067 144 A 4.4027 7.5106 117.3318 52.1752 18.7153 178.0294 145 G 3.8369 7.7976 106.5804 45.6306 0.0000 174.1350 146 V 3.6084 7.6576 119.8293 62.3173 31.7880 175.5376 147 A 4.6464 8.1642 129.7482 49.8502 20.9755 176.3489 148 W 4.5985 8.4848 119.9280 57.1315 29.7297 176.0627 149 G 4.3051 9.5877 112.6167 43.7776 0.0000 173.8451 150 E 4.0088 8.9944 117.1511 61.2561 29.5202 175.8550 151 A 4.3792 8.0880 121.2770 54.8406 18.4110 179.4286 152 D 5.0520 8.0966 119.0232 57.3003 41.0190 178.9321 153 I 3.7540 7.8161 119.8110 64.6091 37.1462 178.4229 154 T 3.8906 8.0070 116.3183 66.7477 68.2707 176.6017 155 A 4.5175 8.3699 122.6394 55.3384 18.3742 179.7263 156 I 3.6837 7.9172 118.4820 64.4431 37.0635 178.8142 157 K 4.0269 8.2086 119.3437 59.4904 31.9143 179.3862 158 R 3.8853 8.3144 119.0149 59.3591 29.8270 178.5184 159 L 4.5280 8.7596 119.2478 58.0505 41.6844 179.4012 160 S 4.5800 8.4752 114.6339 61.1980 62.1550 176.0355 161 D 4.4107 8.3360 120.5120 57.4652 40.6134 178.2164 162 M 4.2664 8.1098 117.8240 56.2065 32.0309 177.1560 163 G 3.9844 7.8604 107.0365 44.7984 0.0000 173.7568 164 F 4.7981 7.8406 118.9417 56.8557 40.7172 174.9542 165 K 4.2876 9.0711 122.5018 55.9878 33.4422 175.9330 166 V 4.7178 8.3318 124.5185 61.5107 33.8793 174.2498 167 T 4.7303 8.7503 125.0115 62.2167 70.6529 173.7454 168 V 4.9020 8.1218 125.0861 61.2700 34.1960 174.2647 169 A 4.7753 9.2211 127.6393 51.4425 23.2640 174.3381 170 G 4.3493 9.8760 107.5354 46.9653 0.0000 173.9028 171 G 4.2911 8.5766 115.8883 45.5895 0.0000 171.4339 172 L 4.4495 8.4170 121.1097 54.7870 42.8454 175.8345 173 A 5.0246 9.3171 128.6701 49.9314 22.0327 176.7679 174 L 3.2637 8.4848 121.5008 58.2463 41.7014 179.3134 175 E 4.1238 7.9887 114.4457 58.5857 30.0089 178.0005 176 D 4.5515 8.2960 120.4376 56.7848 40.9285 178.2653 177 L 4.1339 7.8125 120.0113 57.5348 41.6159 177.6775 178 P 4.2248 0.0000 0.0000 65.2577 30.9497 178.4453 179 L 3.8370 7.5372 116.9543 56.8446 41.5621 177.8062 180 F 4.7682 8.0219 115.4958 56.7276 39.6377 175.6117 181 K 3.1781 7.3025 122.6367 57.8011 32.1997 177.0351 182 G 3.9489 8.5501 113.0123 45.2684 0.0000 172.9039 183 I 4.6062 7.4919 120.3157 58.8339 39.8676 175.0705 184 P 4.7562 0.0000 0.0000 61.6426 29.8937 176.3777 185 I 3.5533 7.2958 120.3798 62.5313 38.2336 176.2964 186 H 4.4323 9.0260 125.6902 58.8825 30.9969 175.2880 187 V 4.6665 7.1061 116.3874 61.4725 35.1617 172.8304 188 F 5.1385 9.0499 126.4140 55.9143 41.2120 174.5993 189 I 4.7655 8.5587 124.6604 59.8690 38.7737 175.1093 190 A 4.0684 8.8322 128.2293 51.0765 21.3937 174.9327 191 G 3.7957 8.9628 112.3740 46.9090 0.0000 175.7340 192 R 3.9424 8.3204 118.4736 58.6335 30.6633 178.8186 193 S 4.3137 8.1825 112.4600 60.6886 63.0791 175.8104 194 I 4.2046 7.5542 122.7784 63.7017 37.5558 177.9046 195 R 3.9617 8.1056 117.6587 58.7905 29.9972 177.9330 196 D 4.7397 7.8769 115.0895 53.0920 41.6492 176.7742 197 A 4.1861 7.0858 122.9573 51.6227 19.0944 177.7509 198 A 4.0370 8.6863 123.3955 54.6430 18.6997 178.3082 199 S 4.5052 7.7150 109.7106 55.1669 64.0850 172.0401 200 P 4.3800 0.0000 0.0000 65.4919 31.1799 178.4268 201 V 3.5618 7.7359 116.3413 66.1960 31.5244 177.6777 202 E 3.9880 8.1662 118.2660 58.8889 29.4078 178.6400 203 A 4.0036 8.2173 121.0217 55.0778 18.5155 179.3671 204 A 4.0708 8.3055 119.5069 55.5627 18.4220 180.1017 205 R 3.9605 8.2093 116.4999 59.4501 30.0184 179.3711 206 Q 4.0030 8.3998 118.0418 58.8666 28.6157 178.6382 207 F 3.9797 8.2236 118.7762 60.5381 38.9265 177.9097 208 K 4.0448 8.2588 117.9328 59.5291 31.8785 179.5153 209 R 3.9444 8.3988 118.7405 59.4885 29.9754 179.1411 210 S 4.1161 8.3378 112.9044 61.2893 62.4002 176.1057 211 I 4.1345 8.1891 122.5525 64.6912 36.8202 178.3224 212 A 4.1801 8.3729 121.5012 55.0354 17.8935 179.6919 213 E 3.9636 8.0619 116.5804 59.7380 29.7617 179.2676 214 L 3.9706 8.3405 117.8963 56.3461 41.6969 178.4441 215 W 4.6548 8.2302 115.7262 56.0466 30.3075 175.8983 216 G 3.8212 7.9808 113.8653 45.8081 0.0000 173.6810 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 S 8.33 4.52 0.00 3.65 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 3 L 8.23 4.15 0.00 1.73 1.65 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.31 0.00 1.64 1.39 0.00 3.32 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.25 0.00 5 M 8.79 4.48 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 6 L 9.06 5.02 0.00 1.71 1.44 0.64 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.94 5.02 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.65 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 8 V 8.37 4.51 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 0.68 0.00 0.00 0.90 0.00 0.00 9 A 8.33 4.48 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 10 L 8.92 4.29 0.00 1.67 1.60 0.93 1.01 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 11 D 7.92 5.08 0.00 2.68 2.62 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 0.00 0.00 0.00 0.00 12 N 7.64 4.95 0.00 2.67 2.66 0.00 0.00 6.99 7.37 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 13 Q 8.41 4.18 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 14 T 7.33 4.77 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 1.17 0.00 0.00 15 M 9.05 3.66 0.00 1.37 1.95 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.75 0.00 16 D 7.80 4.30 0.00 2.90 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 17 S 7.63 4.02 0.00 3.95 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 18 A 7.67 3.83 1.19 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 0.00 0.00 19 Y 7.81 4.81 0.00 3.15 2.96 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 20 E 8.03 4.04 0.00 2.21 2.05 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 2.39 2.57 0.00 21 T 7.43 4.18 4.42 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 1.20 0.00 0.00 22 T 8.25 3.86 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 1.27 0.00 0.00 23 R 8.17 4.10 0.00 2.04 2.22 0.00 3.10 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.71 0.00 24 L 7.84 4.31 0.00 1.80 1.76 0.99 0.78 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 25 I 7.45 4.38 1.82 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.25 0.94 0.00 0.00 26 A 7.69 3.61 0.75 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 0.00 0.00 27 E 7.99 4.39 0.00 1.96 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 2.29 2.29 0.00 28 E 8.29 4.50 0.00 1.97 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 2.39 0.00 29 V 7.20 4.54 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 0.72 0.00 0.00 0.85 0.00 0.00 30 D 8.81 4.62 0.00 2.59 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 31 I 7.46 4.46 1.77 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 0.87 0.75 0.74 0.00 0.00 32 I 8.55 4.37 1.77 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.49 0.86 0.00 0.00 33 E 8.89 4.64 0.00 2.15 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 2.29 2.22 0.00 34 V 8.92 4.09 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 0.91 0.00 0.00 0.91 0.00 0.00 35 G 8.72 4.41 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 0.00 0.00 0.00 36 T 8.70 4.00 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 1.17 0.00 0.00 37 I 7.80 3.66 1.76 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 1.66 0.87 0.92 0.00 0.00 38 L 7.69 4.25 0.00 1.91 1.75 0.90 1.08 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 39 C 8.34 4.04 0.00 3.11 2.92 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 40 V 7.92 3.70 2.05 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 0.78 0.00 0.00 0.90 0.00 0.00 41 G 7.94 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 0.00 0.00 0.00 42 E 8.24 4.58 0.00 1.98 1.93 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 2.17 2.34 0.00 43 G 8.42 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 0.00 0.00 0.00 44 V 8.07 3.76 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 0.80 0.00 0.00 0.91 0.00 0.00 45 R 8.12 3.92 0.00 2.05 2.24 0.00 2.96 0.00 0.00 3.33 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.70 0.00 46 A 8.11 3.97 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 47 V 7.61 3.46 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 1.07 0.00 0.00 0.86 0.00 0.00 48 R 7.82 4.47 0.00 1.90 2.05 0.00 3.27 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 49 D 8.44 4.34 0.00 2.87 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 50 L 8.05 4.16 0.00 1.89 1.87 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.43 3.98 0.00 1.93 1.80 0.00 1.52 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.50 7.81 52 A 7.79 3.97 1.33 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 0.00 0.00 0.00 53 L 7.48 3.75 0.00 1.04 0.20 0.43 0.22 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 54 Y 7.54 4.99 0.00 2.93 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 55 P 0.00 4.53 0.00 2.19 2.24 0.00 3.50 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.91 0.00 56 H 8.32 4.45 0.00 3.31 3.46 0.00 5.51 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.41 4.38 0.00 1.78 1.60 0.00 1.57 0.00 0.00 1.55 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.99 1.30 7.81 58 I 7.88 3.74 1.41 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.43 -0.37 0.00 0.00 59 V 8.91 4.66 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 0.98 0.00 0.00 0.95 0.00 0.00 60 L 8.72 5.10 0.00 1.81 1.50 1.25 1.16 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 61 A 8.99 4.61 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 62 D 8.45 4.85 0.00 2.64 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 63 A 7.85 3.99 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 64 K 7.87 3.70 0.00 1.82 1.78 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.31 1.46 7.81 65 I 7.66 3.61 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.59 0.94 0.00 0.00 66 A 8.19 4.34 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 67 D 8.29 4.23 0.00 2.57 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.26 3.75 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 69 G 8.16 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 70 K 7.99 4.09 0.00 1.85 1.92 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.67 1.56 7.81 71 I 7.65 3.72 1.88 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 1.65 0.93 0.92 0.00 0.00 72 L 8.13 4.00 0.00 1.75 1.66 0.93 0.69 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 73 S 8.09 4.01 0.00 4.30 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 74 R 8.16 3.90 0.00 2.16 2.16 0.00 3.19 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.87 0.00 75 M 8.06 3.98 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.58 0.00 76 C 7.73 3.96 0.00 2.64 2.53 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 77 F 8.07 4.12 0.00 2.13 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 0.00 0.00 0.00 0.00 78 E 8.36 4.07 0.00 1.94 2.05 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 2.54 2.50 0.00 79 A 7.51 4.33 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 80 N 8.07 4.33 0.00 2.94 3.05 0.00 0.00 6.85 6.87 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 81 A 7.52 4.09 1.05 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 82 D 9.09 4.86 0.00 2.38 2.53 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 83 W 7.99 5.97 0.00 3.14 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 84 V 8.93 5.18 1.89 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 0.27 0.00 0.00 0.91 0.00 0.00 85 T 8.29 4.99 4.12 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 1.17 0.00 0.00 86 V 8.25 4.76 1.89 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 0.92 0.00 0.00 0.86 0.00 0.00 87 I 8.45 4.13 1.93 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.00 0.89 0.00 0.00 88 C 8.34 3.90 0.00 3.35 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 89 C 8.03 4.38 0.00 3.16 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 90 A 7.68 4.11 1.28 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 0.00 0.00 91 D 8.69 4.48 0.00 2.80 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.56 3.82 1.95 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 1.71 1.15 0.96 0.00 0.00 93 N 8.90 4.52 0.00 2.91 2.88 0.00 0.00 6.91 7.91 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 94 T 8.07 3.86 4.41 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 1.23 0.00 0.00 95 A 8.00 4.03 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 96 K 8.31 4.07 0.00 2.02 1.91 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.69 7.81 97 G 8.47 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 0.00 0.00 0.00 98 A 8.17 4.24 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 99 L 8.19 3.93 0.00 2.01 1.85 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.07 4.35 0.00 2.89 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 0.00 101 V 7.85 3.80 2.36 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 1.29 0.00 0.00 1.05 0.00 0.00 102 A 8.22 2.94 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 0.00 103 K 8.18 3.91 0.00 1.93 1.85 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.61 7.81 104 E 7.85 3.90 0.00 1.85 1.67 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 2.28 2.55 0.00 105 F 7.71 4.42 0.00 2.55 2.96 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 0.00 106 N 7.70 4.16 0.00 2.88 2.89 0.00 0.00 6.75 6.98 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 0.00 107 G 7.77 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 0.00 108 D 8.94 4.90 0.00 2.87 2.27 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 0.00 109 V 8.22 4.93 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 0.80 0.00 0.00 1.03 0.00 0.00 110 Q 8.64 4.69 0.00 1.82 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.67 0.00 0.00 0.00 0.00 0.00 1.84 2.05 0.00 111 I 7.65 4.10 0.73 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 -0.36 -0.50 0.00 0.00 112 D 8.72 4.53 0.00 2.62 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 0.00 113 L 8.00 4.29 0.00 1.23 0.89 0.39 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 114 T 7.77 4.13 4.13 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 1.09 0.00 0.00 115 G 8.79 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 *116 Y 8.33 4.41 0.00 2.34 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 0.00 0.00 0.00 0.00 117 W 7.82 5.26 0.00 3.59 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 0.00 118 T 8.11 4.32 4.18 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 1.14 0.00 0.00 119 W 8.39 4.52 0.00 3.47 3.36 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 0.00 120 E 8.21 4.05 0.00 1.97 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 2.31 1.97 0.00 121 Q 7.74 3.76 0.00 1.92 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 122 A 7.29 3.45 1.64 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 0.00 123 Q 8.15 3.98 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 124 Q 7.87 4.00 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 125 W 7.92 4.55 0.00 3.88 3.21 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 0.00 126 R 8.38 4.13 0.00 2.00 1.89 0.00 2.72 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.56 0.00 127 D 8.34 4.39 0.00 2.82 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 0.00 128 A 7.94 4.38 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 0.00 129 G 7.95 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 0.00 130 I 7.88 3.93 2.21 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 1.33 0.90 0.92 0.00 0.00 131 G 8.73 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 0.00 132 Q 7.87 5.15 0.00 1.67 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.77 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 133 V 8.42 4.45 1.56 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 -0.44 0.00 0.00 0.65 0.00 0.00 134 V 8.19 4.46 2.05 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 0.93 0.00 0.00 0.78 0.00 0.00 135 Y 8.96 4.32 0.00 3.21 2.95 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 0.00 136 H 8.16 5.22 0.00 3.22 3.01 0.00 5.80 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 R 9.00 3.95 0.00 1.06 1.31 0.00 2.90 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.23 0.00 138 S 8.59 4.12 0.00 3.81 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 0.00 139 V 8.30 3.79 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 0.79 0.00 0.00 0.90 0.00 0.00 140 D 8.01 4.35 0.00 2.65 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 0.00 141 A 7.93 3.90 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 0.00 142 Q 8.39 3.98 0.00 1.97 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 143 A 7.90 4.08 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 0.00 144 A 7.51 4.40 1.33 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 0.00 0.00 0.00 145 G 7.80 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 0.00 0.00 0.00 146 V 7.66 3.61 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 0.66 0.00 0.00 0.93 0.00 0.00 147 A 8.16 4.65 1.28 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 0.00 0.00 148 W 8.48 4.60 0.00 3.38 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 0.00 149 G 9.59 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 0.00 0.00 0.00 0.00 150 E 8.99 4.01 0.00 1.99 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 2.32 1.95 0.00 151 A 8.09 4.38 1.44 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 0.00 152 D 8.10 5.05 0.00 3.20 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 0.00 153 I 7.82 3.75 2.03 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 1.77 0.98 0.93 0.00 0.00 154 T 8.01 3.89 4.51 0.00 0.00 0.00 0.00 0.00 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 0.00 155 A 8.37 4.52 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 0.00 0.00 0.00 0.00 0.00 156 I 7.92 3.68 1.85 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 1.14 -0.21 0.93 0.00 0.00 157 K 8.21 4.03 0.00 2.03 1.90 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.61 7.81 158 R 8.31 3.89 0.00 1.84 2.15 0.00 2.46 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.36 0.00 159 L 8.76 4.53 0.00 2.12 2.04 1.27 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 160 S 8.48 4.58 0.00 3.95 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 0.00 161 D 8.34 4.41 0.00 2.84 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 0.00 162 M 8.11 4.27 0.00 1.96 2.48 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.63 0.00 163 G 7.86 3.98 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 0.00 0.00 0.00 164 F 7.84 4.80 0.00 3.19 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 0.00 165 K 9.07 4.29 0.00 1.54 1.48 0.00 1.40 0.00 0.00 1.07 0.00 0.00 2.66 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 1.29 7.81 166 V 8.33 4.72 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 1.09 0.00 0.00 1.06 0.00 0.00 167 T 8.75 4.73 4.12 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 1.13 0.00 0.00 168 V 8.12 4.90 1.50 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 0.38 0.00 0.00 0.44 0.00 0.00 169 A 9.22 4.78 1.02 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 0.00 170 G 9.88 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 0.00 0.00 0.00 0.00 171 G 8.58 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 0.00 0.00 0.00 0.00 172 L 8.42 4.45 0.00 1.81 1.73 1.02 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 173 A 9.32 5.02 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 0.00 174 L 8.48 3.26 0.00 1.24 1.46 0.14 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 175 E 7.99 4.12 0.00 2.16 2.05 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 2.32 2.37 0.00 176 D 8.30 4.55 0.00 2.99 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 0.00 177 L 7.81 4.13 0.00 1.73 1.87 0.86 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 4.22 0.00 2.09 2.03 0.00 3.71 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 2.07 2.13 0.00 179 L 7.54 3.84 0.00 0.70 1.12 0.87 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 180 F 8.02 4.77 0.00 3.90 3.44 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 0.00 181 K 7.30 3.18 0.00 1.45 1.51 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.08 0.94 7.81 182 G 8.55 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 0.00 183 I 7.49 4.61 2.25 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.84 1.02 0.00 0.00 184 P 0.00 4.76 0.00 2.21 2.18 0.00 3.86 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 2.03 2.04 0.00 185 I 7.30 3.55 1.03 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.44 -0.19 0.00 0.00 186 H 9.03 4.43 0.00 3.08 3.29 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 V 7.11 4.67 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 0.91 0.00 0.00 0.78 0.00 0.00 188 F 9.05 5.14 0.00 2.92 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 0.00 189 I 8.56 4.77 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 1.12 0.47 0.98 0.00 0.00 190 A 8.83 4.07 0.66 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 0.00 0.00 191 G 8.96 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 0.00 192 R 8.32 3.94 0.00 1.91 2.03 0.00 3.16 0.00 0.00 3.40 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.71 0.00 193 S 8.18 4.31 0.00 4.31 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 0.00 194 I 7.55 4.20 1.83 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.01 0.90 0.00 0.00 195 R 8.11 3.96 0.00 1.76 2.00 0.00 3.13 0.00 0.00 3.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 196 D 7.88 4.74 0.00 2.84 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 0.00 197 A 7.09 4.19 1.32 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 0.00 198 A 8.69 4.04 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 0.00 199 S 7.72 4.51 0.00 3.85 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 0.00 200 P 0.00 4.38 0.00 2.20 2.19 0.00 3.67 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.27 0.00 201 V 7.74 3.56 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 1.04 0.00 0.00 0.98 0.00 0.00 202 E 8.17 3.99 0.00 2.17 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 2.31 2.53 0.00 203 A 8.22 4.00 1.47 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 0.00 0.00 204 A 8.31 4.07 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 0.00 205 R 8.21 3.96 0.00 2.04 2.02 0.00 3.15 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 206 Q 8.40 4.00 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 207 F 8.22 3.98 0.00 3.32 3.03 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 0.00 0.00 0.00 208 K 8.26 4.04 0.00 1.99 1.90 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.66 7.81 209 R 8.40 3.94 0.00 1.99 2.00 0.00 3.13 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 210 S 8.34 4.12 0.00 3.83 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 0.00 211 I 8.19 4.13 2.19 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.91 1.05 0.00 0.00 212 A 8.37 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 213 E 8.06 3.96 0.00 2.15 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 2.48 2.50 0.00 214 L 8.34 3.97 0.00 1.70 0.83 1.04 0.56 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 0.00 215 W 8.23 4.65 0.00 3.67 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 0.00 216 G 7.98 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.