NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3313 8.2649 123.5824 52.1320 19.7875 176.8217 3 R 4.1115 8.3784 118.2223 57.0619 31.7125 176.3295 4 R 3.7590 8.9334 118.2807 58.1411 29.7634 178.5552 5 R 4.2572 8.6485 124.4817 56.4791 32.1900 176.0185 6 R 4.1323 8.4408 116.4976 55.4194 30.5246 174.9332 7 A 3.5725 7.9701 118.5763 53.0278 15.2284 176.5683 8 E 4.1883 8.2204 118.9814 56.4370 30.4395 177.4450 9 V 3.6502 7.9644 120.4029 62.4223 32.1202 175.8528 10 R 3.8465 8.3815 126.8784 56.0206 29.3107 176.0681 11 Q 4.0346 8.4533 127.9257 55.5185 28.2234 175.6123 12 L 4.2007 8.1125 125.8917 55.0398 41.5064 176.2553 13 Q 4.2494 8.3163 120.2327 54.2072 29.0410 173.4177 14 P 4.3251 0.0000 0.0000 62.3704 31.8423 175.4940 15 D 4.4607 8.1358 118.9931 55.4787 41.4865 177.1422 16 L 4.7389 8.5831 123.7608 54.5360 42.0382 177.2154 17 V 4.2864 8.0917 117.9128 63.6119 34.9705 175.5336 18 Y 4.3894 8.6285 115.1749 57.0557 40.1322 175.4373 19 G 3.7463 9.4963 106.0514 44.9770 0.0000 173.6893 20 D 4.6311 7.7305 117.1065 51.6653 44.6938 175.4697 21 V 3.6386 8.8453 120.6551 64.7050 31.6262 177.8939 22 L 4.0165 8.2014 119.3399 58.3915 41.7188 179.2233 23 V 3.0009 8.0295 118.0912 66.1083 31.5510 178.2227 24 T 3.7990 7.8439 108.7968 64.5421 68.4003 175.9503 25 A 3.9196 8.3702 124.0985 55.0650 18.4228 179.3082 26 F 3.9562 8.2456 119.0701 61.3955 39.2846 177.2558 27 I 3.5289 7.4155 119.3323 64.4796 36.6582 178.0401 28 N 4.2446 7.6753 116.0703 56.3002 38.4142 177.2984 29 K 3.9896 7.3933 118.8570 59.4566 32.1532 179.2690 30 I 3.8237 7.1009 119.1948 62.8485 37.0135 176.2189 31 M 3.9438 7.5148 119.9229 55.9001 32.5576 175.3202 32 R 4.5187 8.4281 125.1101 55.5203 32.3800 175.8574 33 D 4.3119 9.5590 121.9163 55.2937 38.4905 173.4677 34 G 3.8484 8.2242 103.0059 47.3151 0.0000 175.8797 35 K 4.4518 7.2430 116.6564 53.7972 31.4808 176.7375 36 K 3.8098 7.7255 123.1913 59.5454 32.4912 176.9432 37 N 4.3378 8.2243 115.6873 56.8784 38.5310 176.5908 38 L 3.9236 8.0149 120.6266 58.0031 42.2051 178.3650 39 A 3.9774 8.1680 119.9622 55.2760 18.3240 179.1244 40 A 3.9138 8.4958 119.3810 55.5316 18.3667 179.6415 41 R 4.0662 8.0819 116.6355 59.9176 30.2116 178.3595 42 I 3.9948 7.9375 120.9545 63.8107 37.1539 177.9833 43 F 4.2431 8.6427 121.3023 61.7680 39.4103 176.7299 44 Y 4.0001 7.9038 116.2899 61.0342 37.2823 178.5708 45 D 4.3844 8.9048 120.3069 57.5407 40.9080 178.8319 46 A 3.9798 7.7288 120.5832 55.1783 18.1144 179.3047 47 C 3.7789 7.7702 115.3806 62.9269 28.1057 176.3775 48 K 4.1805 7.9453 119.1825 58.9169 31.7396 179.3860 49 I 3.8293 7.4147 119.9369 63.7817 36.8475 178.3589 50 I 3.6493 7.8324 121.4001 64.7042 36.8037 178.5193 51 Q 4.8119 7.3995 116.9749 58.1943 28.5018 178.4856 52 E 4.1148 7.7791 119.3426 59.6842 29.6174 179.0690 53 K 4.0665 8.0592 117.2834 57.6690 32.7897 176.6957 54 T 4.5968 7.9071 113.6540 59.9964 70.1450 175.4219 55 G 4.0484 8.5007 117.3076 45.8596 0.0000 173.3011 56 Q 4.6694 7.4653 116.4401 53.1413 32.0143 176.1078 57 E 4.0849 8.6362 119.7196 55.6357 29.9838 175.9189 58 P 4.2114 0.0000 0.0000 65.9604 30.8358 177.3691 59 L 3.7863 7.8836 120.1758 58.0894 42.0950 178.4690 60 K 4.0923 7.9065 119.1858 58.9226 32.2521 179.2369 61 V 3.6166 7.6102 119.0911 65.9017 31.4599 177.6967 62 F 4.0712 8.2383 120.5072 61.2070 39.1360 176.9286 63 K 3.8002 8.1191 118.1051 59.6395 31.9526 178.6997 64 Q 3.8274 8.2286 119.1541 59.6388 28.6829 178.4250 65 A 3.9841 7.9895 120.8006 55.1933 18.7259 179.2445 66 V 3.4884 8.0338 115.8896 66.0246 31.4021 178.1357 67 E 3.9517 8.6231 118.4995 59.1127 29.5453 177.8593 68 N 4.6464 7.8490 113.8034 53.8981 39.1484 175.6359 69 V 4.2905 7.7045 121.0441 62.3641 31.9988 174.9329 70 K 4.5433 7.9076 121.3072 52.9102 31.2125 172.3685 71 P 4.2903 0.0000 0.0000 62.9016 30.9769 176.6792 72 R 4.0974 9.0029 124.3144 58.9276 30.4198 175.8898 73 M 5.1333 7.7413 114.5670 53.5570 36.3273 174.0623 74 E 4.8963 8.9709 118.8396 54.8794 34.1784 174.2038 75 V 4.8992 8.3835 112.3730 59.7601 33.7475 175.9210 76 R 4.7895 9.4295 123.9508 54.5068 33.9276 174.7409 77 S 5.1260 8.3814 116.3869 56.7162 64.6516 173.7567 78 R 4.4714 8.1299 122.3268 54.9659 33.6295 173.6494 79 R 4.7021 8.2328 122.6471 55.0594 31.9096 177.4820 80 V 4.0875 7.8050 114.6639 59.7582 32.5959 175.5430 81 G 3.7477 7.8286 106.4970 45.4888 0.0000 171.1688 82 G 3.7801 7.7027 105.3847 44.8160 0.0000 174.0055 83 A 4.6107 7.6908 122.6556 50.0109 21.9264 174.6616 84 N 5.2645 8.5954 118.9563 52.1363 39.6879 174.3839 85 Y 4.9552 8.4249 121.4842 56.8974 41.1018 175.2993 86 Q 4.6229 8.1460 121.3302 54.7648 27.7182 173.6682 87 V 4.1826 8.5143 122.3460 61.4363 33.0620 172.8623 88 P 5.4913 0.0000 0.0000 61.7504 33.6407 174.3020 89 M 4.3196 8.5094 117.7623 54.7744 34.7351 174.0597 90 E 4.6222 9.0297 119.0535 56.5374 30.5628 176.4252 91 V 4.3912 8.1136 120.8435 61.3479 34.6864 174.2047 92 S 4.6400 8.3560 116.2512 56.6170 63.5020 172.8195 93 P 4.2341 0.0000 0.0000 66.5484 30.6577 178.8686 94 R 3.9064 7.9471 117.4476 58.5895 30.0180 178.9037 95 R 3.7850 7.7829 117.8892 59.5718 30.2665 178.1296 96 Q 3.9960 8.5698 118.1744 59.2006 28.8063 179.0534 97 Q 3.9549 8.1591 120.1644 59.3008 29.0133 178.3632 98 S 4.0023 8.1017 116.1972 61.6049 62.8301 176.5159 99 L 3.1802 8.1122 121.4001 58.3526 41.2598 178.6900 100 A 4.3450 8.0077 120.5783 54.2929 18.0548 179.2522 101 L 4.1262 8.2190 114.7031 57.8149 42.2296 179.8131 102 R 3.7301 8.0753 118.2300 59.3333 29.8798 178.1441 103 W 4.5763 8.6958 119.3332 60.1344 29.1795 178.2068 104 L 4.0906 8.5688 119.0644 58.2046 40.9322 180.0195 105 V 3.6216 7.5133 115.9545 66.0568 31.8190 177.6499 106 Q 4.1825 8.1068 117.5662 59.1888 28.6580 178.9058 107 A 4.2126 8.9364 121.8922 55.2224 17.9203 179.5185 108 A 4.0784 8.1428 119.2856 55.0752 18.2580 178.7500 109 N 4.4531 7.9699 112.4005 54.4979 38.9818 176.7203 110 Q 4.2379 7.8305 119.6516 57.0959 29.4617 176.7479 111 R 4.1433 6.8179 117.9862 55.5128 30.5555 174.9882 112 P 4.5072 0.0000 0.0000 63.5160 31.9787 176.5964 113 E 4.0671 7.9144 118.8362 56.9692 29.4767 176.7084 114 R 4.1152 8.0310 120.8956 58.8732 31.2088 177.4704 115 R 4.1635 7.6990 115.3846 55.7003 31.8231 177.4816 116 A 4.0569 8.8904 125.1366 55.2770 18.1952 179.4812 117 A 3.9877 8.0521 118.6937 55.7970 18.5012 180.2099 118 V 3.6109 7.7995 110.0579 64.3196 31.6441 178.9916 119 R 3.9684 7.9332 117.4910 59.3742 29.9210 178.9674 120 I 3.8474 8.1475 119.5456 65.1685 37.1734 177.5244 121 A 3.9731 8.4047 121.3159 55.2630 17.9999 178.8489 122 H 4.0084 8.9897 112.7420 58.8841 29.1247 177.5906 123 E 3.9872 8.3763 120.6448 59.3713 29.4288 178.8329 124 L 3.9960 8.1716 119.1473 57.9930 41.5361 179.4917 125 M 4.0364 7.9668 118.5682 58.6833 31.9989 178.5322 126 D 4.3377 8.2226 118.6799 57.2124 40.5745 178.9271 127 A 3.9042 8.3533 121.3568 55.2270 18.2997 179.4646 128 A 4.0012 7.9588 118.0593 55.3288 18.4429 179.0553 129 E 4.1071 8.3683 117.3667 58.8790 29.7692 177.6233 130 G 4.0681 6.0749 115.7646 45.2822 0.0000 173.6551 131 K 4.4489 7.8744 120.8959 53.9889 34.1450 175.0162 132 G 4.3579 7.8308 109.7916 41.4926 0.0000 170.4636 133 G 3.7898 8.7363 108.4332 48.0303 0.0000 175.7267 134 A 4.0248 8.0608 122.5302 54.5146 18.6245 179.5070 135 V 3.4808 7.6856 116.3449 66.2737 31.4113 178.3064 136 K 3.9677 8.1837 118.1835 59.1449 31.8835 179.5117 137 K 3.7261 7.5764 118.3677 58.6353 31.6406 179.4359 138 K 3.4847 7.2406 119.7159 59.5056 32.2874 178.4281 139 E 3.8680 7.9587 118.8296 59.4450 29.0632 179.0153 140 D 4.1864 7.8036 117.3090 57.3808 41.5303 178.0935 141 V 3.7231 7.6571 118.5796 66.1605 31.4170 177.7992 142 E 3.9980 8.4866 118.5270 59.3296 29.2037 179.4288 143 R 3.9001 7.7734 117.8283 59.6648 30.1949 178.6190 144 M 3.9745 7.7822 118.0491 59.2150 31.7596 177.8458 145 A 3.9503 7.5867 118.4988 56.2213 18.4801 179.0949 146 E 4.0586 8.0106 117.8344 58.9577 30.2056 178.5220 147 A 4.0727 8.1586 121.9543 54.9477 18.1996 178.0355 148 N 4.5649 8.5608 110.9042 53.3223 39.5784 177.7258 149 R 3.9543 7.8964 123.5245 59.4436 29.7646 177.8421 150 A 4.0325 8.0202 119.5120 55.0467 18.4195 178.0961 151 Y 3.6771 8.4382 113.3895 58.4934 37.9814 176.7282 152 A 4.3397 7.6751 121.5356 53.1907 18.5673 178.6561 153 H 4.2752 7.6425 113.8663 57.2870 29.6962 175.6377 154 Y 4.9003 7.1406 121.2573 56.9533 36.2417 176.1453 155 R 4.1276 8.5189 119.4658 56.9943 31.2430 176.9459 156 W 4.3209 7.8121 120.7501 56.8278 30.2324 174.4494 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 A 8.26 4.33 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 R 8.38 4.11 0.00 1.90 1.99 0.00 3.21 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 4 R 8.93 3.76 0.00 1.80 1.72 0.00 3.20 0.00 0.00 3.22 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 5 R 8.65 4.26 0.00 1.78 1.90 0.00 3.23 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 6 R 8.44 4.13 0.00 1.74 1.90 0.00 3.36 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 7 A 7.97 3.57 1.31 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 8 E 8.22 4.19 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 9 V 7.96 3.65 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 0.75 0.00 0.00 0.92 0.00 0.00 10 R 8.38 3.85 0.00 1.80 1.85 0.00 3.28 0.00 0.00 3.14 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 11 Q 8.45 4.03 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 12 L 8.11 4.20 0.00 1.79 1.68 0.96 0.57 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 13 Q 8.32 4.25 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 14 P 0.00 4.33 0.00 2.10 2.04 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 15 D 8.14 4.46 0.00 3.00 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 16 L 8.58 4.74 0.00 1.75 1.69 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.09 4.29 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 0.38 0.00 0.00 0.70 0.00 0.00 18 Y 8.63 4.39 0.00 3.28 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 19 G 9.50 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 0.00 0.00 0.00 20 D 7.73 4.63 0.00 2.70 2.54 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 21 V 8.85 3.64 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 0.76 0.00 0.00 0.96 0.00 0.00 22 L 8.20 4.02 0.00 1.83 2.09 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.03 3.00 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 0.82 0.00 0.00 0.80 0.00 0.00 24 T 7.84 3.80 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 1.27 0.00 0.00 25 A 8.37 3.92 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 0.00 0.00 26 F 8.25 3.96 0.00 3.29 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 27 I 7.42 3.53 1.97 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 1.51 0.59 0.86 0.00 0.00 28 N 7.68 4.24 0.00 2.82 2.82 0.00 0.00 7.11 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.39 3.99 0.00 1.25 1.66 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.58 1.44 7.81 30 I 7.10 3.82 1.90 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.57 0.89 0.00 0.00 31 M 7.51 3.94 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.55 0.00 32 R 8.43 4.52 0.00 1.87 1.78 0.00 3.33 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 33 D 9.56 4.31 0.00 2.81 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 34 G 8.22 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 7.24 4.45 0.00 1.88 1.74 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.44 7.81 36 K 7.73 3.81 0.00 1.82 1.77 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.55 7.81 37 N 8.22 4.34 0.00 2.79 2.93 0.00 0.00 6.55 6.74 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 38 L 8.01 3.92 0.00 1.77 1.85 0.95 1.01 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 39 A 8.17 3.98 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 40 A 8.50 3.91 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.08 4.07 0.00 2.15 2.15 0.00 3.17 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.77 0.00 42 I 7.94 3.99 2.11 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 1.44 1.96 0.99 0.00 0.00 43 F 8.64 4.24 0.00 2.99 2.98 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 44 Y 7.90 4.00 0.00 3.28 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 45 D 8.90 4.38 0.00 2.92 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.73 3.98 1.35 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 47 C 7.77 3.78 0.00 3.08 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 48 K 7.95 4.18 0.00 1.92 1.84 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.62 7.81 49 I 7.41 3.83 1.97 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 1.76 0.86 0.85 0.00 0.00 50 I 7.83 3.65 2.04 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.76 0.95 0.00 0.00 51 Q 7.40 4.81 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.95 0.00 0.00 0.00 0.00 0.00 2.63 2.45 0.00 52 E 7.78 4.11 0.00 2.08 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 2.58 2.49 0.00 53 K 8.06 4.07 0.00 1.83 1.81 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.68 1.53 7.81 54 T 7.91 4.60 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 1.25 0.00 0.00 55 G 8.50 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 56 Q 7.47 4.67 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 57 E 8.64 4.08 0.00 2.21 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 0.00 2.39 2.41 0.00 58 P 0.00 4.21 0.00 2.05 2.43 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 59 L 7.88 3.79 0.00 1.75 1.69 0.93 0.45 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 60 K 7.91 4.09 0.00 1.93 1.81 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.57 7.81 61 V 7.61 3.62 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.97 0.00 0.00 62 F 8.24 4.07 0.00 3.21 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 63 K 8.12 3.80 0.00 2.08 1.84 0.00 1.81 0.00 0.00 1.83 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.54 7.81 64 Q 8.23 3.83 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 65 A 7.99 3.98 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 66 V 8.03 3.49 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 -0.15 0.00 0.00 67 E 8.62 3.95 0.00 2.05 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 2.31 2.39 0.00 68 N 7.85 4.65 0.00 2.89 2.83 0.00 0.00 6.79 8.05 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 69 V 7.70 4.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.04 0.00 0.00 70 K 7.91 4.54 0.00 1.91 1.85 0.00 2.00 0.00 0.00 1.77 0.00 0.00 3.32 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.43 7.81 71 P 0.00 4.29 0.00 2.39 2.43 0.00 4.07 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.36 0.00 72 R 9.00 4.10 0.00 1.89 1.98 0.00 3.13 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 73 M 7.74 5.13 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 74 E 8.97 4.90 0.00 2.11 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 0.00 2.24 2.33 0.00 75 V 8.38 4.90 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 0.72 0.00 0.00 0.95 0.00 0.00 76 R 9.43 4.79 0.00 1.72 1.80 0.00 3.23 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 77 S 8.38 5.13 0.00 3.70 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 78 R 8.13 4.47 0.00 1.40 1.44 0.00 2.41 0.00 0.00 2.99 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.07 0.00 79 R 8.23 4.70 0.00 1.60 1.69 0.00 3.28 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.50 0.00 80 V 7.81 4.09 1.82 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 0.20 0.00 0.00 0.10 0.00 0.00 81 G 7.83 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 0.00 0.00 0.00 82 G 7.70 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.69 4.61 1.10 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 84 N 8.60 5.26 0.00 2.57 2.73 0.00 0.00 6.91 7.46 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 85 Y 8.42 4.96 0.00 3.08 3.10 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 86 Q 8.15 4.62 0.00 1.70 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.88 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 87 V 8.51 4.18 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 1.18 0.00 0.00 1.17 0.00 0.00 88 P 0.00 5.49 0.00 2.14 2.08 0.00 3.95 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 1.95 2.20 0.00 89 M 8.51 4.32 0.00 2.22 2.28 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 90 E 9.03 4.62 0.00 1.88 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 2.34 2.26 0.00 91 V 8.11 4.39 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 0.83 0.00 0.00 1.09 0.00 0.00 92 S 8.36 4.64 0.00 3.94 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 93 P 0.00 4.23 0.00 2.30 2.32 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 94 R 7.95 3.91 0.00 1.86 2.00 0.00 3.12 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 95 R 7.78 3.79 0.00 1.85 2.08 0.00 3.19 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 96 Q 8.57 4.00 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.54 2.62 0.00 97 Q 8.16 3.95 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 98 S 8.10 4.00 0.00 3.93 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 99 L 8.11 3.18 0.00 1.12 0.13 0.77 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.01 4.34 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 0.00 101 L 8.22 4.13 0.00 1.75 1.92 1.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.08 3.73 0.00 1.78 1.79 0.00 2.80 0.00 0.00 3.03 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 103 W 8.70 4.58 0.00 3.69 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 0.00 104 L 8.57 4.09 0.00 2.23 2.18 0.98 0.90 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 0.00 105 V 7.51 3.62 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.59 0.00 0.00 106 Q 8.11 4.18 0.00 2.44 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.44 2.72 0.00 107 A 8.94 4.21 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 0.00 0.00 108 A 8.14 4.08 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 0.00 0.00 109 N 7.97 4.45 0.00 2.91 2.89 0.00 0.00 7.03 7.07 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 0.00 110 Q 7.83 4.24 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 111 R 6.82 4.14 0.00 1.91 1.88 0.00 3.23 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 112 P 0.00 4.51 0.00 2.17 2.16 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 113 E 7.91 4.07 0.00 2.01 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 2.33 2.32 0.00 114 R 8.03 4.12 0.00 1.82 1.92 0.00 3.21 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 115 R 7.70 4.16 0.00 1.85 1.88 0.00 3.33 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 116 A 8.89 4.06 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 0.00 117 A 8.05 3.99 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 0.00 118 V 7.80 3.61 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 0.86 0.00 0.00 1.07 0.00 0.00 119 R 7.93 3.97 0.00 2.09 2.27 0.00 3.34 0.00 0.00 3.47 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 120 I 8.15 3.85 2.14 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.01 1.22 0.00 0.00 121 A 8.40 3.97 1.31 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 0.00 122 H 8.99 4.01 0.00 3.32 3.42 0.00 5.82 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.38 3.99 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 124 L 8.17 4.00 0.00 1.95 1.73 1.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 125 M 7.97 4.04 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.62 0.00 126 D 8.22 4.34 0.00 2.75 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 0.00 127 A 8.35 3.90 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 0.00 128 A 7.96 4.00 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 0.00 129 E 8.37 4.11 0.00 2.02 2.21 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 2.32 2.33 0.00 130 G 6.07 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 0.00 131 K 7.87 4.45 0.00 1.62 1.66 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.33 7.81 132 G 7.83 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 0.00 0.00 0.00 0.00 133 G 8.74 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 0.00 134 A 8.06 4.02 1.41 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 0.00 135 V 7.69 3.48 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 1.06 0.00 0.00 0.94 0.00 0.00 136 K 8.18 3.97 0.00 1.89 1.75 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.60 7.81 137 K 7.58 3.73 0.00 1.12 1.23 0.00 1.57 0.00 0.00 1.29 0.00 0.00 2.65 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.42 7.81 138 K 7.24 3.48 0.00 1.54 1.87 0.00 1.70 0.00 0.00 1.89 0.00 0.00 3.08 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.53 7.81 139 E 7.96 3.87 0.00 2.12 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 2.50 0.00 140 D 7.80 4.19 0.00 2.69 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 0.00 141 V 7.66 3.72 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.94 0.00 0.00 142 E 8.49 4.00 0.00 2.02 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 2.35 2.57 0.00 143 R 7.77 3.90 0.00 2.02 1.97 0.00 3.11 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 1.63 1.91 0.00 144 M 7.78 3.97 0.00 1.96 2.23 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.93 0.00 145 A 7.59 3.95 1.35 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 0.00 146 E 8.01 4.06 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 147 A 8.16 4.07 1.35 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 0.00 148 N 8.56 4.56 0.00 2.84 2.74 0.00 0.00 6.81 7.04 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 0.00 149 R 7.90 3.95 0.00 1.92 1.99 0.00 3.48 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 150 A 8.02 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 0.00 151 Y 8.44 3.68 0.00 3.07 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 0.00 152 A 7.68 4.34 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 0.00 153 H 7.64 4.28 0.00 3.03 3.27 0.00 5.53 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 7.14 4.90 0.00 3.17 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 0.00 155 R 8.52 4.13 0.00 1.93 2.11 0.00 3.32 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.71 0.00 156 W 7.81 4.32 0.00 3.66 3.27 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