NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5788 8.3649 120.5307 53.6450 42.2711 175.0819 2 I 3.5577 8.3173 123.9744 60.7892 37.7100 170.0773 3 V 4.3567 9.2686 126.9933 61.1204 34.6689 173.9822 4 L 5.0874 8.4931 127.3741 53.4755 44.0721 175.4889 5 T 4.5569 8.9690 122.8538 62.5889 69.6526 174.2660 6 Q 5.2284 8.6342 126.0043 54.8583 30.8588 175.3785 7 S 4.8195 8.6724 115.6712 56.6756 66.6309 172.6966 8 P 4.6949 0.0000 0.0000 62.2863 32.3617 176.1938 9 A 4.3561 8.5732 120.8009 54.8579 19.2307 177.5862 10 T 5.1403 7.6765 102.5105 60.3787 72.4355 173.6173 11 L 4.6022 8.8622 124.1069 54.1617 45.8936 174.3420 12 S 5.9492 8.8380 121.8962 56.4152 65.5105 173.7774 13 V 4.4754 7.9508 120.3693 61.0561 34.6127 172.4110 14 T 4.5801 8.3925 119.7491 61.7832 70.0978 172.5809 15 P 4.4414 0.0000 0.0000 64.5667 31.6204 175.3252 16 G 4.1244 9.0986 110.6024 45.6171 0.0000 173.7513 17 N 4.4851 8.0344 116.3759 53.7006 39.8231 174.4037 18 S 5.2964 8.4176 115.9921 57.2030 65.3656 174.0458 19 V 4.5753 8.6062 115.1928 59.7524 36.2183 174.7704 20 S 4.8972 8.4194 117.4059 56.9676 66.0348 173.5053 21 L 4.7126 8.9386 125.1194 53.0718 44.3702 175.3814 22 S 5.4401 8.8171 116.7241 56.6960 65.4915 171.7644 23 C 5.6794 9.8560 127.3430 54.7391 45.1642 172.5602 24 R 6.0300 9.4068 122.1262 53.5676 30.9102 174.3116 25 A 5.3399 8.4898 122.8530 50.1021 21.3839 177.6816 26 S 4.4733 8.8421 116.4669 60.7031 63.5408 174.2760 27 Q 4.5757 7.5571 114.7878 53.8088 31.5678 174.4102 28 S 4.3602 8.7303 113.6502 59.2549 62.7722 173.8932 29 I 4.6483 8.8902 119.4021 60.0776 39.5058 176.4075 30 G 3.9635 8.0595 114.9508 47.5280 0.0000 175.0115 31 N 5.2404 8.9792 121.9123 52.4953 38.1381 174.7677 32 N 4.8864 7.9882 118.2252 52.5296 37.6448 174.4746 33 L 4.5535 6.8812 120.1116 53.4409 45.9842 175.5336 34 H 5.1983 8.4965 122.1921 53.6192 33.3270 172.3296 35 W 5.2740 8.8022 120.0750 55.2328 32.2616 174.3840 36 Y 5.2283 9.5446 121.7643 56.2483 41.2824 174.2542 37 Q 4.6740 8.9541 123.3983 54.3102 32.0546 174.1852 38 Q 4.5242 8.6715 126.4502 54.4003 32.3567 173.3329 39 K 4.3659 8.9831 125.7770 56.3321 34.2657 177.3526 40 S 3.6814 8.9367 117.5690 59.3854 59.6157 171.4944 41 H 4.0739 8.3072 116.0837 56.7758 25.2619 173.8376 42 E 4.8510 8.1289 121.1889 53.6558 33.9196 175.7025 43 S 3.7045 8.6644 114.7258 58.2953 63.1787 172.7914 44 P 4.1541 0.0000 0.0000 62.3637 32.1008 175.3966 45 R 4.4303 8.6227 123.0032 54.1949 32.5549 174.5795 46 L 4.0716 8.6324 128.9121 55.3534 42.2142 175.4122 47 L 4.4119 8.9057 126.0717 55.8487 43.4998 177.0664 48 I 4.8804 7.5271 118.4686 59.1441 41.2228 174.4673 49 K 4.5458 8.5502 124.8510 55.3594 35.4998 175.4846 50 Y 4.3484 9.0704 116.3156 58.4841 35.1094 170.6427 51 A 4.4597 9.2734 129.5581 52.6397 18.4537 180.2970 52 S 4.8829 7.7842 103.3432 57.7460 65.2462 173.7098 53 Q 4.3303 8.3004 121.9976 55.2272 29.3259 175.9577 54 S 4.5270 8.5816 118.4061 58.7419 63.8793 173.5774 55 I 4.4720 7.8976 122.7893 59.0583 39.5195 175.3482 56 S 4.2765 8.5209 119.8713 59.7613 62.5853 174.3407 57 G 3.9707 9.0635 115.7240 45.2840 0.0000 172.7931 58 I 4.3509 7.2140 120.7873 58.6350 38.6701 174.0302 59 P 4.4094 0.0000 0.0000 63.1436 31.7531 177.7042 60 S 4.0699 8.7346 118.5259 60.9529 63.2582 176.1782 61 R 3.9724 7.8459 116.2527 58.5719 30.3872 176.7149 62 F 5.0212 7.8903 119.8816 57.1017 39.4728 175.3129 63 S 4.7567 9.1141 117.5812 57.0564 66.8035 173.0510 64 G 4.5579 8.7108 106.4437 44.0883 0.0000 171.2940 65 S 4.6975 9.3141 114.7859 57.1377 67.1822 172.1634 66 G 4.0800 9.1570 105.2894 45.2656 0.0000 172.1583 67 S 4.4592 7.9584 111.8099 58.2102 65.9170 176.4917 68 G 4.0501 8.6565 112.0547 46.3906 0.0000 174.3455 69 T 4.8719 8.2225 108.7667 60.6819 72.5442 174.3293 70 D 5.3627 7.7819 122.9705 52.7250 44.1235 174.8819 71 F 5.4129 9.3024 121.5149 56.0816 43.7667 174.1011 72 T 5.1919 9.3685 118.6966 61.8905 72.5333 172.4987 73 L 4.3025 8.1104 128.9243 53.6203 43.7080 175.1608 74 S 5.0060 9.3531 123.1068 56.8231 66.0582 173.3522 75 I 4.5110 8.3184 125.5213 59.1925 38.4163 173.7832 76 N 4.3254 8.5128 126.1228 53.7496 39.4528 172.6278 77 S 3.9123 8.8433 125.2119 57.3173 60.7667 170.4144 78 V 3.7065 8.8681 126.1718 62.3273 32.3428 175.3054 79 E 5.0019 8.9772 125.8793 54.4361 32.0557 177.3398 80 T 4.0881 8.3290 110.0980 64.5365 69.1345 176.5758 81 E 4.0747 8.3048 119.1338 59.0210 29.4750 177.2926 82 D 4.8102 7.8766 117.5790 54.7383 40.9713 176.5550 83 F 4.6543 7.6559 115.4712 57.0432 38.7823 175.2390 84 G 3.6684 7.7793 107.4094 44.4229 0.0000 172.6350 85 M 4.8160 8.4140 119.6896 54.7120 34.1073 175.3499 86 Y 5.1518 8.4699 118.1079 56.3463 42.1600 174.6728 87 F 5.6081 9.5495 121.7312 55.9158 43.3079 171.6469 88 C 4.6548 8.9701 117.2028 54.1254 45.0600 172.1908 89 Q 4.7829 8.4878 121.8090 54.3821 31.7619 173.9137 90 Q 5.0971 8.5936 124.3579 54.2767 30.9207 175.8730 91 S 4.3887 7.8669 113.4383 58.0790 63.9363 174.4439 92 N 4.5458 8.5715 120.8570 56.4475 39.0295 175.3604 93 S 4.8642 8.3834 111.8994 56.2271 66.6661 173.1688 94 W 4.4674 8.7764 133.7328 55.6072 31.4398 174.3397 95 P 2.0000 0.0000 0.0000 61.5962 31.4948 175.7317 96 Y 4.5375 6.5339 118.4130 58.7303 38.6384 175.4316 97 T 4.8245 8.0566 110.8264 60.1955 72.8317 172.5120 98 F 5.2128 8.7764 120.7133 55.3789 42.0801 175.3967 99 G 4.0957 9.2393 110.7320 46.0249 0.0000 173.8104 100 G 3.9119 8.8273 107.5539 46.1724 0.0000 175.0730 101 G 3.4595 8.9205 106.1733 45.7230 0.0000 173.2045 102 T 4.7319 8.2169 116.8262 61.2008 72.3078 173.1604 103 K 4.5697 8.8265 129.2344 56.0623 33.8453 175.2961 104 L 5.0987 9.2204 130.7615 53.7027 43.7193 174.4381 105 E 4.8792 9.2325 127.6052 55.2799 31.0421 175.7368 106 I 4.7903 8.4202 125.2617 59.9898 39.0938 175.4379 107 T 4.3949 8.3441 119.9755 62.1791 67.9271 173.0434 *123 D 4.5448 8.0751 119.0727 53.2934 42.7387 173.9374 124 I 4.9528 7.9202 113.6053 59.7813 38.3231 175.3739 125 Q 4.8972 8.6640 125.0558 53.8571 32.3059 174.3280 126 L 5.2071 8.3975 120.1230 53.1267 46.0935 175.3785 127 Q 4.7540 8.6118 123.0764 54.5661 32.5030 173.5739 128 E 5.0660 8.9709 126.3781 56.0214 30.7277 176.0693 129 S 4.7266 9.9727 118.1096 56.0148 66.8317 174.0303 130 G 4.3286 8.0371 106.5288 45.9109 0.0000 170.0559 131 P 4.6160 0.0000 0.0000 62.7359 32.1683 175.9024 132 S 4.8661 8.4131 111.7334 57.1194 65.5769 173.0278 133 L 5.2110 7.8803 122.1645 53.2901 44.2493 175.8436 134 V 4.5923 8.5907 118.3275 59.3389 36.0715 175.2173 135 K 4.3466 8.6493 122.5965 55.3699 33.2640 175.0016 136 P 4.2096 0.0000 0.0000 64.4640 31.6744 176.8591 137 S 4.0883 9.3255 116.3022 58.2005 62.7388 169.2633 138 Q 4.4698 7.4031 117.9529 55.9262 31.1234 174.5039 139 T 4.7127 8.1268 116.1441 62.4935 69.6188 174.4886 140 L 4.2377 8.6772 129.6063 54.3442 43.4684 175.3190 141 S 5.1033 8.4985 121.9778 56.6704 65.4193 173.4038 142 L 4.9545 8.7507 124.1285 53.1150 45.4006 175.5281 143 T 5.2016 8.8771 117.5910 61.9567 72.4261 172.3054 144 C 5.1252 8.8227 125.5651 54.8512 41.9232 172.7088 145 S 4.7379 8.7072 123.5912 57.6189 63.9138 173.4640 146 V 4.5631 8.0320 125.2065 61.5348 33.0671 175.0602 147 T 4.4638 8.8009 123.5611 62.8766 71.2179 174.1913 148 G 3.9509 9.6633 114.1408 45.8640 0.0000 172.6642 149 D 4.7711 7.4210 116.0796 52.0659 44.8401 174.1557 150 S 4.3568 8.4553 116.4388 57.7529 62.8626 174.9311 151 I 4.1568 8.3392 120.5613 63.5416 37.4824 176.8612 152 T 4.2581 7.8267 109.8711 63.1934 68.7309 175.0124 153 S 4.6670 8.2036 117.9827 58.3731 63.1347 172.7003 154 D 4.2599 7.6544 118.9686 53.8336 43.6640 173.1421 155 Y 4.8732 7.5351 115.9592 56.1541 41.0037 175.1530 156 W 5.3557 8.7993 120.9532 55.1137 33.0298 174.7465 157 S 5.6647 9.9243 120.2524 56.6164 66.8927 172.8687 158 W 5.3016 9.1144 120.6156 55.2490 32.5292 174.9192 159 I 5.2763 9.0199 123.8992 59.5419 41.3188 174.4807 160 R 4.8508 8.7056 120.4749 54.1844 33.2506 173.8846 161 K 4.6486 8.6150 123.0553 54.5934 34.4095 175.8189 162 F 4.9094 9.2520 127.1481 56.4526 39.6539 174.9964 163 P 4.3874 0.0000 0.0000 65.5062 31.1941 177.1614 164 G 4.0487 8.0819 105.6443 45.7892 0.0000 174.5656 165 N 4.7194 8.2252 118.2369 52.9271 38.2213 175.4429 166 R 4.1860 7.9386 117.7593 56.4873 31.1593 175.4466 167 L 4.7142 8.3641 123.3602 52.9549 43.8704 175.5391 168 E 4.7712 8.7144 123.5646 54.5166 33.0188 173.6320 169 Y 4.5537 9.1417 128.7318 58.0890 39.0742 174.6777 170 M 4.4812 9.3640 127.4078 56.5312 33.8243 176.6537 171 G 5.1814 8.0238 104.2832 47.1654 0.0000 170.6039 172 Y 5.9131 8.1515 116.9869 55.5696 42.1102 174.3301 173 V 4.9050 8.9352 120.0114 59.9733 34.3899 174.7375 174 S 4.1957 8.3512 117.2401 55.7416 65.9628 174.2760 175 Y 3.9504 8.3166 118.4753 60.3938 37.2798 178.0013 176 S 3.8335 6.5132 111.9842 58.5808 63.3520 174.9683 177 G 3.8721 8.5464 111.1817 45.0501 0.0000 174.0950 178 S 4.2184 7.5235 115.1639 58.5064 64.1722 173.4865 179 T 4.7250 7.5565 110.3299 59.9496 71.8845 172.4343 180 Y 3.8999 7.9758 121.0752 56.0482 40.7037 174.2811 181 Y 5.9265 8.4422 120.7358 56.1381 41.8428 174.8058 182 N 4.5613 9.5786 122.2702 52.9186 39.7508 174.4550 183 P 4.4713 0.0000 0.0000 65.3038 31.2617 178.5235 184 S 4.3683 8.4368 112.2307 60.4160 63.2249 175.3567 185 L 4.2199 8.3457 122.1158 55.2963 42.5662 177.4066 186 K 4.1028 8.6092 116.4503 58.4254 28.7203 174.3072 187 S 3.7697 7.8920 112.7907 58.9827 61.6469 172.1343 188 R 4.1623 8.4376 117.9977 57.1629 30.3513 175.6484 189 I 4.7985 7.1388 117.7802 59.3974 40.1979 174.5353 190 S 4.5082 8.5576 120.8825 56.7700 66.2783 172.6200 191 I 5.8588 9.2049 126.7583 58.9065 39.9015 174.8878 192 T 5.0032 8.9294 115.7673 60.1369 72.7852 172.6644 193 R 5.1253 8.7790 120.1836 54.5928 33.7407 175.4538 194 D 4.7489 9.0276 121.8803 52.6235 42.7051 176.1032 195 T 3.9068 8.7368 123.5231 66.5796 68.6814 176.6538 196 S 4.3938 7.8775 113.0042 59.5175 63.3137 174.6203 197 K 4.3209 7.9150 119.0905 55.3270 33.7751 175.2051 198 N 4.1185 7.8317 117.1225 55.0223 37.6445 172.9262 199 Q 5.0583 7.5788 114.6299 54.0722 33.5139 175.0270 200 Y 4.9325 7.8988 118.5643 55.4607 42.3712 173.5818 201 Y 5.5398 9.4164 116.9295 56.2738 42.6205 174.1729 202 L 4.9937 8.4432 124.2557 53.2491 44.9094 174.6655 203 D 5.2388 9.0224 125.8050 52.3280 44.2661 174.6678 204 L 4.9835 8.7697 125.3925 53.1719 44.3663 175.3898 205 N 4.6767 9.2275 124.4910 52.9109 39.5829 175.2843 206 S 3.8155 8.4808 114.4042 59.4374 60.7585 173.5100 207 V 3.9834 7.5304 112.7270 61.9897 32.3394 176.0441 208 T 4.9767 8.6607 111.8144 59.5536 71.9402 174.9625 209 T 3.8739 8.3958 110.5357 64.4827 68.7355 176.1022 210 E 3.8874 7.6805 120.4705 59.3788 29.4699 177.5524 211 D 4.8895 8.1636 116.2107 54.9356 41.2227 176.5198 212 T 4.5919 7.9741 117.5239 63.8218 68.9434 173.4561 213 A 4.4372 8.4641 126.2595 51.9096 22.8740 174.3563 214 T 4.7827 8.0867 116.0753 62.8342 70.2405 174.0361 215 Y 4.9243 8.7921 124.0661 56.5198 40.5686 174.3136 216 Y 5.5107 9.5025 121.6207 56.4108 41.5996 172.5230 217 C 4.7628 9.1949 117.9484 54.4641 42.5732 172.3558 218 A 5.0413 8.1765 120.6040 50.4901 22.7291 175.7902 219 N 4.6319 8.7292 117.6138 52.4035 38.2658 175.8707 220 W 4.2361 8.4354 130.3718 60.1907 30.6611 177.2441 221 D 4.1513 8.3357 118.5407 55.4950 40.3729 177.5502 222 G 4.1434 7.8776 105.3911 45.8942 0.0000 174.2979 223 D 4.3232 8.1279 119.9834 56.5310 41.3401 176.2378 224 Y 4.9549 7.8712 116.5883 55.8819 40.0984 174.7191 225 W 5.1791 8.9056 123.8592 54.4753 32.5995 175.6443 226 G 4.0731 8.8478 111.7067 44.9221 0.0000 173.5686 227 Q 4.1437 8.7021 116.3830 57.1529 29.0882 177.5560 228 G 3.7895 9.7191 103.6360 45.8825 0.0000 172.6068 229 T 4.5573 8.2553 114.3296 60.1094 71.1253 172.4939 230 L 4.5547 8.6103 131.1851 54.8517 43.8442 175.2252 231 V 4.5470 8.8221 126.2362 61.5042 34.2807 174.0106 232 T 4.8358 9.0571 125.3547 61.9238 70.8424 173.7384 233 V 4.8076 8.1974 126.0014 61.3077 32.9953 174.9772 234 S 4.5775 8.5420 122.3784 56.5516 64.7413 173.4482 235 A 4.0150 9.1847 130.0298 55.3088 18.3386 177.0136 236 A 4.1940 7.8737 121.4927 52.4973 18.6722 177.0306 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 D 8.36 4.58 0.00 2.67 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 2 I 8.32 3.56 1.84 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 1.31 0.59 0.89 0.00 0.00 3 V 9.27 4.36 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 0.99 0.00 0.00 1.00 0.00 0.00 4 L 8.49 5.09 0.00 1.61 1.53 0.81 0.67 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 5 T 8.97 4.56 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 1.25 0.00 0.00 6 Q 8.63 5.23 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.67 0.00 0.00 0.00 0.00 0.00 2.60 2.38 0.00 7 S 8.67 4.82 0.00 3.91 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 8 P 0.00 4.69 0.00 2.37 2.11 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 9 A 8.57 4.36 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 10 T 7.68 5.14 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 1.23 0.00 0.00 11 L 8.86 4.60 0.00 1.71 1.50 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.84 5.95 0.00 3.77 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.95 4.48 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 0.63 0.00 0.00 0.91 0.00 0.00 14 T 8.39 4.58 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 1.20 0.00 0.00 15 P 0.00 4.44 0.00 2.03 2.02 0.00 3.64 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 2.04 2.13 0.00 16 G 9.10 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 0.00 0.00 0.00 0.00 17 N 8.03 4.49 0.00 2.80 2.72 0.00 0.00 6.77 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 18 S 8.42 5.30 0.00 3.68 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 19 V 8.61 4.58 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 0.67 0.00 0.00 0.83 0.00 0.00 20 S 8.42 4.90 0.00 3.63 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 21 L 8.94 4.71 0.00 1.31 1.55 0.58 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.82 5.44 0.00 3.95 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 C 9.86 5.68 0.00 3.01 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 24 R 9.41 6.03 0.00 2.05 2.04 0.00 3.09 0.00 0.00 3.30 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.43 0.00 25 A 8.49 5.34 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 26 S 8.84 4.47 0.00 3.92 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 0.00 27 Q 7.56 4.58 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 28 S 8.73 4.36 0.00 3.88 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 29 I 8.89 4.65 1.85 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 1.50 0.70 0.96 0.00 0.00 30 G 8.06 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 31 N 8.98 5.24 0.00 3.12 3.09 0.00 0.00 5.94 6.96 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 32 N 7.99 4.89 0.00 2.91 2.75 0.00 0.00 6.39 6.82 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 33 L 6.88 4.55 0.00 0.57 0.66 0.11 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.50 5.20 0.00 2.68 2.79 0.00 5.61 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 35 W 8.80 5.27 0.00 3.13 3.08 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 36 Y 9.54 5.23 0.00 2.99 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 37 Q 8.95 4.67 0.00 1.77 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 1.66 1.16 0.00 38 Q 8.67 4.52 0.00 1.90 1.90 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 2.14 2.28 0.00 39 K 8.98 4.37 0.00 1.56 1.51 0.00 1.46 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.73 1.00 7.81 40 S 8.94 3.68 0.00 3.96 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.31 4.07 0.00 3.31 3.35 0.00 5.70 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 42 E 8.13 4.85 0.00 1.76 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 43 S 8.66 3.70 0.00 3.75 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 0.00 44 P 0.00 4.15 0.00 0.66 1.40 0.00 2.20 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.14 0.00 45 R 8.62 4.43 0.00 1.64 1.58 0.00 2.96 0.00 0.00 3.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.43 0.00 46 L 8.63 4.07 0.00 1.66 1.50 0.41 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.91 4.41 0.00 1.32 1.29 0.70 0.29 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 48 I 7.53 4.88 2.04 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 1.36 0.99 1.04 0.00 0.00 49 K 8.55 4.55 0.00 1.48 1.69 0.00 1.50 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.31 1.48 7.81 50 Y 9.07 4.35 0.00 3.20 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 51 A 9.27 4.46 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 7.78 4.88 0.00 4.00 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 53 Q 8.30 4.33 0.00 2.43 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 54 S 8.58 4.53 0.00 3.87 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 55 I 7.90 4.47 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.30 0.85 0.00 0.00 56 S 8.52 4.28 0.00 3.83 3.77 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 57 G 9.06 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 58 I 7.21 4.35 1.99 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 1.41 0.83 0.92 0.00 0.00 59 P 0.00 4.41 0.00 2.24 2.24 0.00 3.88 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 2.57 2.18 0.00 60 S 8.73 4.07 0.00 3.86 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 61 R 7.85 3.97 0.00 1.81 2.01 0.00 2.73 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.84 0.00 62 F 7.89 5.02 0.00 3.01 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 63 S 9.11 4.76 0.00 3.85 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.71 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 9.31 4.70 0.00 3.88 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 66 G 9.16 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 0.00 0.00 0.00 67 S 7.96 4.46 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 68 G 8.66 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.22 4.87 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 1.29 0.00 0.00 70 D 7.78 5.36 0.00 2.44 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 F 9.30 5.41 0.00 3.26 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 72 T 9.37 5.19 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 1.17 0.00 0.00 73 L 8.11 4.30 0.00 0.27 0.17 0.53 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 74 S 9.35 5.01 0.00 3.74 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 75 I 8.32 4.51 1.68 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.59 0.52 0.00 0.00 76 N 8.51 4.33 0.00 2.68 2.80 0.00 0.00 7.10 7.64 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 77 S 8.84 3.91 0.00 4.01 3.75 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 78 V 8.87 3.71 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 0.97 0.00 0.00 0.88 0.00 0.00 79 E 8.98 5.00 0.00 2.01 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 2.15 2.32 0.00 80 T 8.33 4.09 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 1.24 0.00 0.00 81 E 8.30 4.07 0.00 2.14 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 2.33 2.42 0.00 82 D 7.88 4.81 0.00 2.98 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 F 7.66 4.65 0.00 3.28 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 84 G 7.78 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 0.00 0.00 0.00 85 M 8.41 4.82 0.00 1.45 2.08 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.65 0.00 86 Y 8.47 5.15 0.00 2.97 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 87 F 9.55 5.61 0.00 3.08 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 88 C 8.97 4.65 0.00 2.03 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 89 Q 8.49 4.78 0.00 1.73 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.87 0.00 0.00 0.00 0.00 0.00 1.71 1.16 0.00 90 Q 8.59 5.10 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.18 2.02 0.00 91 S 7.87 4.39 0.00 3.06 3.08 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 92 N 8.57 4.55 0.00 2.68 3.00 0.00 0.00 6.91 7.63 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 93 S 8.38 4.86 0.00 3.89 3.77 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 94 W 8.78 4.47 0.00 3.26 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 95 P 0.00 2.00 0.00 1.66 1.21 0.00 3.66 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.80 0.00 96 Y 6.53 4.54 0.00 2.39 2.55 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 97 T 8.06 4.82 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 1.20 0.00 0.00 98 F 8.78 5.21 0.00 3.05 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 99 G 9.24 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 0.00 0.00 0.00 100 G 8.83 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.92 3.46 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 0.00 102 T 8.22 4.73 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 1.29 0.00 0.00 103 K 8.83 4.57 0.00 1.88 1.72 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.43 7.81 104 L 9.22 5.10 0.00 1.95 1.96 0.89 1.08 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 0.00 105 E 9.23 4.88 0.00 1.97 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 2.28 2.33 0.00 106 I 8.42 4.79 1.98 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.59 0.94 0.00 0.00 107 T 8.34 4.39 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 1.20 0.00 0.00 *123 D 8.08 4.54 0.00 2.79 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 0.00 124 I 7.92 4.95 1.79 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 0.53 0.72 0.00 0.00 125 Q 8.66 4.90 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 126 L 8.40 5.21 0.00 1.67 1.50 1.07 0.82 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 Q 8.61 4.75 0.00 2.14 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.98 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 128 E 8.97 5.07 0.00 1.95 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 2.58 2.45 0.00 129 S 9.97 4.73 0.00 3.82 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 8.04 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 0.00 0.00 0.00 0.00 131 P 0.00 4.62 0.00 2.12 2.00 0.00 3.59 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 1.86 1.85 0.00 132 S 8.41 4.87 0.00 3.99 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 0.00 133 L 7.88 5.21 0.00 1.59 1.52 0.91 0.85 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 0.00 134 V 8.59 4.59 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 0.83 0.00 0.00 0.95 0.00 0.00 135 K 8.65 4.35 0.00 1.65 1.70 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.55 7.81 136 P 0.00 4.21 0.00 1.92 2.01 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 137 S 9.33 4.09 0.00 3.96 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 0.00 138 Q 7.40 4.47 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.67 0.00 0.00 0.00 0.00 0.00 2.47 2.28 0.00 139 T 8.13 4.71 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 1.13 0.00 0.00 140 L 8.68 4.24 0.00 1.57 1.32 0.25 0.61 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 0.00 141 S 8.50 5.10 0.00 3.65 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 0.00 142 L 8.75 4.95 0.00 0.65 1.23 0.37 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.88 5.20 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 1.23 0.00 0.00 144 C 8.82 5.13 0.00 1.98 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 0.00 145 S 8.71 4.74 0.00 3.75 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 0.00 146 V 8.03 4.56 1.75 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 0.67 0.00 0.00 0.19 0.00 0.00 147 T 8.80 4.46 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 1.20 0.00 0.00 148 G 9.66 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 0.00 149 D 7.42 4.77 0.00 2.60 2.59 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 0.00 0.00 0.00 0.00 150 S 8.46 4.36 0.00 3.94 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 0.00 151 I 8.34 4.16 1.69 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.77 0.52 0.00 0.00 152 T 7.83 4.26 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 1.28 0.00 0.00 153 S 8.20 4.67 0.00 4.12 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 0.00 154 D 7.65 4.26 0.00 2.18 1.54 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 0.00 0.00 0.00 0.00 155 Y 7.54 4.87 0.00 2.63 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 0.00 156 W 8.80 5.36 0.00 2.44 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 S 9.92 5.66 0.00 3.53 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 W 9.11 5.30 0.00 3.46 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 0.00 159 I 9.02 5.28 1.89 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 -0.12 0.89 0.00 0.00 160 R 8.71 4.85 0.00 0.84 1.02 0.00 2.21 0.00 0.00 2.55 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.61 0.00 161 K 8.62 4.65 0.00 1.80 1.80 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.22 7.81 162 F 9.25 4.91 0.00 3.23 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 0.00 163 P 0.00 4.39 0.00 2.10 2.20 0.00 3.86 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 164 G 8.08 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 N 8.23 4.72 0.00 3.07 3.26 0.00 0.00 6.86 7.15 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 0.00 166 R 7.94 4.19 0.00 1.98 2.11 0.00 3.15 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.79 0.00 167 L 8.36 4.71 0.00 0.71 0.18 -1.09 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 168 E 8.71 4.77 0.00 2.10 1.60 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 2.29 2.36 0.00 169 Y 9.14 4.55 0.00 3.30 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 0.00 170 M 9.36 4.48 0.00 2.25 2.51 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.58 0.00 171 G 8.02 5.18 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 0.00 0.00 0.00 172 Y 8.15 5.91 0.00 3.35 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 0.00 173 V 8.94 4.90 2.16 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 0.88 0.00 0.00 0.92 0.00 0.00 174 S 8.35 4.20 0.00 2.72 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 0.00 175 Y 8.32 3.95 0.00 3.17 3.33 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 0.00 176 S 6.51 3.83 0.00 3.62 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 0.00 177 G 8.55 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 0.00 178 S 7.52 4.22 0.00 3.51 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 0.00 179 T 7.56 4.73 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 180 Y 7.98 3.90 0.00 1.43 1.43 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 0.00 0.00 0.00 181 Y 8.44 5.93 0.00 2.99 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 0.00 182 N 9.58 4.56 0.00 3.09 2.84 0.00 0.00 7.24 8.36 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 0.00 183 P 0.00 4.47 0.00 2.23 2.16 0.00 3.56 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 184 S 8.44 4.37 0.00 4.08 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 0.00 185 L 8.35 4.22 0.00 1.88 1.74 1.04 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 186 K 8.61 4.10 0.00 1.87 2.17 0.00 1.88 0.00 0.00 1.66 0.00 0.00 3.20 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.63 1.54 7.81 187 S 7.89 3.77 0.00 4.02 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 0.00 188 R 8.44 4.16 0.00 1.95 2.03 0.00 3.41 0.00 0.00 3.09 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 189 I 7.14 4.80 1.75 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 0.87 0.70 0.48 0.00 0.00 190 S 8.56 4.51 0.00 3.83 3.56 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 0.00 0.00 0.00 0.00 191 I 9.20 5.86 2.30 0.00 0.00 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 1.35 2.16 1.33 0.00 0.00 192 T 8.93 5.00 4.43 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 0.00 0.00 1.32 0.00 0.00 193 R 8.78 5.13 0.00 1.76 1.91 0.00 3.24 0.00 0.00 3.30 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 194 D 9.03 4.75 0.00 3.01 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 0.00 195 T 8.74 3.91 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 1.24 0.00 0.00 196 S 7.88 4.39 0.00 3.99 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 0.00 197 K 7.92 4.32 0.00 1.83 1.90 0.00 1.99 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.38 7.81 198 N 7.83 4.12 0.00 2.83 2.75 0.00 0.00 6.80 6.95 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 0.00 199 Q 7.58 5.06 0.00 1.86 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.53 0.00 0.00 0.00 0.00 0.00 2.28 2.21 0.00 200 Y 7.90 4.93 0.00 3.11 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 0.00 201 Y 9.42 5.54 0.00 2.98 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 0.00 202 L 8.44 4.99 0.00 0.27 0.19 0.77 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 203 D 9.02 5.24 0.00 2.50 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 0.00 0.00 0.00 204 L 8.77 4.98 0.00 1.58 1.37 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 205 N 9.23 4.68 0.00 2.56 2.69 0.00 0.00 7.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 S 8.48 3.82 0.00 3.97 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 V 7.53 3.98 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 0.73 0.00 0.00 0.97 0.00 0.00 208 T 8.66 4.98 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 0.00 209 T 8.40 3.87 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 1.30 0.00 0.00 210 E 7.68 3.89 0.00 2.03 2.00 0.00 0.00 0.00 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 2.42 0.00 211 D 8.16 4.89 0.00 2.86 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 0.00 212 T 7.97 4.59 4.34 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 1.31 0.00 0.00 213 A 8.46 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 214 T 8.09 4.78 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 0.78 0.00 0.00 215 Y 8.79 4.92 0.00 2.88 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 0.00 216 Y 9.50 5.51 0.00 3.08 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 0.00 217 C 9.19 4.76 0.00 2.24 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 0.00 218 A 8.18 5.04 0.03 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 0.00 0.00 219 N 8.73 4.63 0.00 2.32 2.98 0.00 0.00 6.75 8.98 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 0.00 220 W 8.44 4.24 0.00 3.26 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 0.00 221 D 8.34 4.15 0.00 2.89 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 0.00 222 G 7.88 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 D 8.13 4.32 0.00 2.47 1.79 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 0.00 224 Y 7.87 4.95 0.00 3.13 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 0.00 225 W 8.91 5.18 0.00 3.18 3.15 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 0.00 226 G 8.85 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 0.00 227 Q 8.70 4.14 0.00 2.25 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.46 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 228 G 9.72 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 0.00 229 T 8.26 4.56 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 1.28 0.00 0.00 230 L 8.61 4.55 0.00 1.76 1.50 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 231 V 8.82 4.55 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 0.78 0.00 0.00 0.72 0.00 0.00 232 T 9.06 4.84 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 1.22 0.00 0.00 233 V 8.20 4.81 2.11 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 0.80 0.00 0.00 0.99 0.00 0.00 234 S 8.54 4.58 0.00 3.81 3.66 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 0.00 235 A 9.18 4.02 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 0.00 236 A 7.87 4.19 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 * Residues marked with a * may have inaccurate shift predictions.