NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4192 8.3049 120.3486 55.0294 33.4075 175.0292 2 L 4.0686 8.3683 126.3357 54.1842 42.2962 175.8656 3 K 4.2215 8.7432 121.5910 57.7925 33.5351 176.2145 4 Q 4.6425 7.5382 118.7874 53.8938 32.7572 174.3749 5 V 4.1314 9.0528 124.8819 62.6122 32.9068 174.4299 6 E 5.0174 8.7755 126.9902 54.5895 32.0992 175.0223 7 I 5.0728 8.0268 124.5820 59.4424 41.2044 174.5363 8 F 6.0199 9.4229 124.0704 54.9557 42.6019 174.1415 9 T 5.3913 8.6516 111.8780 60.6689 72.1107 172.2860 10 D 4.8610 9.0976 121.1369 53.6974 45.2442 174.0652 11 G 4.7247 8.5173 108.6042 45.2575 0.0000 171.9542 12 S 4.9110 9.3204 116.2591 56.8527 66.4488 172.3024 13 C 5.1563 8.5334 124.1200 58.0709 33.9849 173.6296 14 L 4.3017 9.0016 125.3323 56.4859 42.3094 176.3967 15 G 4.1300 7.6766 105.0076 44.3415 0.0000 171.5289 16 N 4.9853 8.2730 114.6755 51.2061 38.6188 172.6749 17 P 4.6211 0.0000 0.0000 61.9996 33.6189 175.1433 18 G 4.1762 8.1983 106.5327 44.7084 0.0000 170.5690 19 P 4.7717 0.0000 0.0000 62.5357 32.7762 175.9161 20 G 4.5208 9.2866 109.0864 46.3133 0.0000 170.8214 21 G 4.5645 8.9974 106.5394 46.0400 0.0000 171.5888 22 Y 5.5057 8.3150 116.9378 55.3749 42.3344 174.5180 23 G 4.5511 9.3921 106.1465 44.6179 0.0000 171.5271 24 A 5.5177 9.8989 126.0889 50.2353 23.0898 174.6646 25 I 5.0526 8.9929 122.0807 59.3823 40.6628 174.3829 26 L 5.1468 9.4247 128.9901 53.5694 45.0223 175.4418 27 R 5.0315 9.8672 128.0374 55.0268 30.9957 174.2539 28 Y 5.1518 8.3910 124.6756 55.5464 42.1377 174.4942 29 R 3.7018 8.9789 125.0722 57.8837 28.0579 177.5493 30 G 3.9196 8.7441 115.7121 46.2912 0.0000 172.6125 31 R 4.4554 7.5945 119.1539 54.3842 32.3328 174.4217 32 E 4.9384 8.4949 119.6336 54.7390 31.4134 174.9356 33 K 4.5195 9.4368 127.3955 55.1900 34.5940 175.8212 34 T 5.0542 7.9852 119.5628 61.7607 71.5831 173.2965 35 F 5.0628 9.0326 124.8489 55.8974 42.7511 174.3124 36 S 4.5557 8.8318 112.5483 58.2281 65.2607 174.4902 37 A 4.4644 6.9079 127.1522 50.3923 22.7882 174.7389 38 G 4.3185 8.3663 106.7325 44.5406 0.0000 171.7057 39 Y 5.2992 9.1783 120.8670 55.8775 40.2333 176.7841 40 T 3.8889 8.8697 114.9082 64.6807 70.0176 173.8401 41 R 4.4460 7.8240 122.4852 55.6310 32.3122 173.4137 42 T 4.1713 9.3040 124.5397 61.4819 71.1190 172.1746 43 T 4.8378 8.1842 108.4303 59.0942 72.3706 174.0702 44 N 4.2676 8.7148 119.9180 57.0702 38.8992 176.6587 45 N 4.1660 7.9092 117.2378 56.3761 38.4762 177.4922 46 R 3.9224 7.7382 119.1407 59.3993 30.1155 179.0760 47 M 4.0924 7.9775 118.3295 58.3206 31.9415 178.6249 48 E 4.0814 8.2524 118.8761 59.3664 29.6056 179.4406 49 L 3.8670 7.7902 118.6852 57.7820 41.6980 179.0495 50 M 3.7788 8.0968 118.1320 58.2294 31.5838 177.9709 51 A 3.5834 7.8992 120.7111 55.0926 18.5952 179.4180 52 A 3.9445 7.4487 118.3632 55.3656 18.4602 179.6708 53 I 3.4927 7.6562 118.1960 64.7486 37.0152 178.8457 54 V 3.3226 7.3235 117.4239 65.6810 30.9726 177.7705 55 A 3.6187 7.2731 119.9091 55.0125 18.3404 179.6922 56 L 3.7997 7.6509 117.5376 57.7542 41.5196 179.2740 57 E 4.0881 8.0218 116.6027 58.2338 29.3932 178.4316 58 A 4.2990 7.2487 119.4391 52.8535 18.9303 177.6819 59 L 3.5001 7.0897 118.2133 54.7536 41.8751 177.1150 60 K 4.5029 8.9519 122.5883 56.0587 32.5395 175.5219 61 E 4.6593 7.6276 115.8551 54.4813 32.6995 174.2923 62 H 4.5478 8.4811 116.6120 55.7664 29.1731 174.8387 63 C 4.9571 9.0746 119.9485 57.9440 32.7911 172.6139 64 E 4.8837 8.5929 118.9776 55.1584 30.8275 175.5307 65 V 4.7043 8.5859 125.2085 60.8296 35.2096 174.5143 66 I 4.6113 8.1666 125.3556 59.2029 40.6251 173.4131 67 L 4.6984 8.1562 132.7632 53.1646 44.1023 174.7644 68 S 5.1712 8.6574 121.8074 56.8924 64.7756 172.5535 69 T 4.9911 8.7474 119.8867 61.6076 71.2738 173.2072 70 D 5.5082 8.7053 123.0925 52.2924 40.5295 175.7427 71 S 4.3269 8.1795 116.2439 58.9466 63.0243 174.2915 72 Q 3.8258 8.7282 130.6669 59.1679 28.9439 177.0496 73 Y 4.2445 7.8330 119.8521 60.6367 38.7692 178.0419 74 L 3.9608 7.9613 119.8231 57.7845 41.8059 179.1952 75 R 2.5100 7.1808 117.8468 59.1598 29.6534 178.4062 76 Q 3.3126 7.6430 117.8520 58.4775 28.4481 179.0026 77 G 2.6265 7.1267 106.5319 47.4866 0.0000 175.5062 78 I 3.4753 7.4263 122.6607 63.8503 37.2470 178.1870 79 T 4.0361 7.5459 108.7224 63.0075 69.0951 175.5029 80 Q 4.2848 7.5473 118.2108 54.7353 31.5095 176.5263 81 W 3.8852 6.9768 116.1320 57.7689 30.4532 177.4331 82 I 3.3675 6.8395 118.5246 64.5716 36.7139 176.7961 83 H 3.9082 7.9485 118.0108 59.7104 29.5332 176.7607 84 N 4.3012 7.8527 117.3934 55.9372 38.3001 177.3908 85 W 4.2069 7.9501 120.9627 59.3227 28.8803 178.7619 86 K 3.2461 7.5511 118.6317 59.1483 31.2238 179.6049 87 K 3.9030 7.3466 116.6760 59.0306 31.2161 178.0031 88 R 4.3013 7.7492 116.1321 55.4337 30.0739 176.8360 89 G 4.0516 7.8500 105.5599 46.4521 0.0000 173.9081 90 W 3.4876 8.5078 116.7868 57.5749 27.0879 174.3690 91 K 5.0377 7.3254 115.7913 54.7041 35.3079 176.7361 92 T 4.2871 9.0289 113.1279 60.4315 70.0193 175.6053 93 A 4.0164 8.4947 124.0638 54.8247 18.3454 177.8676 94 D 4.7268 7.9981 113.5809 52.9042 39.6095 176.3575 95 K 3.8412 7.7854 116.4351 58.0582 30.0874 175.7052 96 K 4.5650 7.6247 117.1882 53.8165 34.2588 174.3135 97 P 4.6937 0.0000 0.0000 62.6801 31.8633 176.9942 98 V 3.6593 7.9472 116.3643 60.8004 32.3793 175.8966 99 K 3.9714 8.2897 123.6291 57.0511 33.0756 176.1382 100 N 4.4759 9.0034 122.6688 54.4205 36.2168 176.6816 101 V 3.6431 7.9272 121.2598 64.8801 30.9696 177.1444 102 D 4.2006 7.9349 119.3283 56.4479 39.2801 178.5315 103 L 3.9108 7.7160 120.2885 57.0414 41.7887 179.2567 104 W 4.5560 8.2139 118.8702 60.0167 29.0197 178.6624 105 Q 3.6076 7.9277 118.1065 58.4600 27.5844 178.6056 106 R 3.8302 7.6250 119.4506 59.2163 30.1234 178.3118 107 L 3.9853 8.5032 120.3745 58.3046 42.2017 178.1056 108 D 4.5805 8.7650 118.2092 57.6899 40.8861 178.2267 109 A 4.0568 7.9983 119.5869 55.2881 18.4739 179.2089 110 A 4.1291 7.8394 118.6840 55.2544 18.3214 179.8962 111 L 4.3158 8.4416 117.8084 57.4934 41.5489 179.0289 112 G 3.9964 7.9182 102.5573 45.8118 0.0000 173.7400 113 Q 4.6147 7.7302 118.1055 56.1671 30.0840 174.6672 114 H 4.9700 7.9887 115.3187 54.3098 33.7467 172.9128 115 Q 4.4432 8.9134 119.3648 54.9901 29.7931 174.9436 116 I 4.4920 8.2274 125.1272 59.1183 39.6642 175.2988 117 K 4.3039 8.2350 127.2197 54.3352 34.5881 174.7328 118 W 4.4050 8.4730 127.8396 55.6350 30.5068 175.8605 119 E 4.2325 8.6342 125.2286 53.9636 31.6764 174.6789 120 W 5.1276 8.4979 127.9610 56.5312 29.7884 176.5946 121 V 4.4981 8.9315 118.9799 59.5054 34.1947 175.8012 122 K 4.5172 8.4818 121.8416 55.5143 33.1153 178.2509 123 G 4.3537 9.0465 112.9261 47.0843 0.0000 173.8435 124 H 4.7564 8.2743 112.0225 55.1575 28.7458 174.9596 125 A 4.6661 8.0167 123.0834 52.0494 19.6634 177.3883 126 G 3.9087 8.0074 111.6012 46.8396 0.0000 173.6353 127 H 4.8729 8.4282 116.8438 53.6413 30.8707 174.2667 128 P 4.3481 0.0000 0.0000 66.2596 30.9178 178.8808 129 E 3.7811 7.8049 116.5924 58.9542 29.2136 179.0187 130 N 4.4371 8.1727 116.9086 56.3132 38.6623 177.1161 131 E 3.9690 8.1756 119.5124 59.6476 29.5958 179.3755 132 R 3.9359 8.1628 118.5203 59.5312 30.0925 178.3540 133 C 4.2426 8.0969 116.8213 62.6806 28.0955 175.4423 134 D 4.4596 8.1853 119.7851 57.3923 40.8261 178.0008 135 E 3.9633 8.2355 119.8284 59.1610 29.6085 178.8570 136 L 3.9530 8.0281 118.8842 57.6300 41.6015 179.1278 137 A 3.9268 8.5028 121.0499 55.3148 18.1091 179.9686 138 R 3.8459 7.8145 114.7421 59.3918 30.3791 178.6522 139 A 4.1054 8.0853 120.3172 55.2886 18.3431 179.5242 140 A 3.8598 8.1553 118.8829 55.2470 18.2686 179.6217 141 A 4.2279 7.6484 117.6426 54.5767 18.5400 178.7209 142 M 4.3288 7.5171 115.6198 55.5951 33.7801 176.2952 143 N 4.9806 7.7624 117.3549 51.5571 39.7399 172.2367 144 P 4.3538 0.0000 0.0000 62.9790 32.4678 177.0358 145 T 4.3867 8.5184 111.7087 61.1859 70.9080 173.9949 146 L 4.5971 7.3040 121.1502 52.7919 44.1488 174.2330 147 E 4.8640 8.5134 120.5528 54.7107 31.3084 175.4271 148 D 4.7406 8.4934 125.8601 52.8216 40.3651 176.5061 149 T 3.9130 8.5165 122.9493 66.3657 68.6711 176.0181 150 G 4.3341 7.6266 105.2572 45.5565 0.0000 173.0722 151 Y 4.1600 7.7503 121.9444 57.3838 38.2987 174.9525 152 Q 4.1604 7.2427 124.6855 53.6707 32.3393 176.6311 153 V 3.7673 7.7688 121.9941 65.7369 32.8634 178.3692 154 E 4.4586 6.8802 116.1396 55.2304 28.6921 177.0471 155 V 3.6736 8.3889 128.6989 64.0340 31.4805 175.1733 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 M 8.30 4.42 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 2 L 8.37 4.07 0.00 1.78 1.77 0.99 0.66 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 3 K 8.74 4.22 0.00 1.74 1.85 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.36 7.81 4 Q 7.54 4.64 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.93 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 5 V 9.05 4.13 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 0.73 0.00 0.00 0.99 0.00 0.00 6 E 8.78 5.02 0.00 2.01 1.63 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 2.13 2.23 0.00 7 I 8.03 5.07 1.64 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 1.17 0.88 0.86 0.00 0.00 8 F 9.42 6.02 0.00 3.03 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 9 T 8.65 5.39 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 10 D 9.10 4.86 0.00 2.84 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 11 G 8.52 4.72 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 0.00 0.00 0.00 12 S 9.32 4.91 0.00 3.89 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 C 8.53 5.16 0.00 2.99 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 9.00 4.30 0.00 1.55 1.70 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.68 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 0.00 0.00 0.00 0.00 16 N 8.27 4.99 0.00 2.65 2.68 0.00 0.00 6.86 7.69 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 17 P 0.00 4.62 0.00 1.65 1.38 0.00 3.87 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 1.89 1.98 0.00 18 G 8.20 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 0.00 0.00 0.00 0.00 19 P 0.00 4.77 0.00 2.34 2.25 0.00 3.85 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.80 0.00 20 G 9.29 4.52 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 0.00 21 G 9.00 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 22 Y 8.31 5.51 0.00 3.25 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 23 G 9.39 4.55 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 0.00 0.00 0.00 24 A 9.90 5.52 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 25 I 8.99 5.05 2.07 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 1.16 1.01 1.01 0.00 0.00 26 L 9.42 5.15 0.00 2.00 1.81 0.89 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 27 R 9.87 5.03 0.00 1.81 1.96 0.00 3.18 0.00 0.00 3.15 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 28 Y 8.39 5.15 0.00 2.99 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.98 3.70 0.00 1.71 1.12 0.00 3.17 0.00 0.00 2.88 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.03 0.00 30 G 8.74 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 0.00 0.00 0.00 31 R 7.59 4.46 0.00 1.89 1.84 0.00 3.05 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 32 E 8.49 4.94 0.00 1.95 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 0.00 2.18 2.34 0.00 33 K 9.44 4.52 0.00 1.85 1.17 0.00 1.87 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.38 7.81 34 T 7.99 5.05 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 35 F 9.03 5.06 0.00 3.23 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.83 4.56 0.00 3.78 3.60 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 37 A 6.91 4.46 1.01 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 0.00 0.00 38 G 8.37 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 0.00 0.00 0.00 0.00 39 Y 9.18 5.30 0.00 2.93 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 40 T 8.87 3.89 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 1.28 0.00 0.00 41 R 7.82 4.45 0.00 1.75 1.79 0.00 3.23 0.00 0.00 3.17 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.46 0.00 42 T 9.30 4.17 4.16 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 1.25 0.00 0.00 43 T 8.18 4.84 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 1.28 0.00 0.00 44 N 8.71 4.27 0.00 2.83 2.82 0.00 0.00 6.89 6.71 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 45 N 7.91 4.17 0.00 2.29 1.42 0.00 0.00 7.12 7.66 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 46 R 7.74 3.92 0.00 1.89 1.88 0.00 3.39 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 47 M 7.98 4.09 0.00 2.37 2.28 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.84 0.00 48 E 8.25 4.08 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 49 L 7.79 3.87 0.00 1.69 1.44 0.09 -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 50 M 8.10 3.78 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.54 0.00 51 A 7.90 3.58 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 52 A 7.45 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.66 3.49 1.83 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.67 0.81 0.00 0.00 54 V 7.32 3.32 1.63 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 0.49 0.00 0.00 0.71 0.00 0.00 55 A 7.27 3.62 1.29 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 56 L 7.65 3.80 0.00 1.63 1.63 0.93 0.75 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 57 E 8.02 4.09 0.00 1.90 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 2.38 0.00 58 A 7.25 4.30 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 59 L 7.09 3.50 0.00 1.60 1.38 0.45 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.95 4.50 0.00 1.87 1.88 0.00 1.72 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.72 1.59 7.81 61 E 7.63 4.66 0.00 2.04 1.92 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 2.29 2.36 0.00 62 H 8.48 4.55 0.00 3.06 3.30 0.00 5.69 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 63 C 9.07 4.96 0.00 2.77 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 64 E 8.59 4.88 0.00 1.88 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 2.28 2.26 0.00 65 V 8.59 4.70 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 0.69 0.00 0.00 0.71 0.00 0.00 66 I 8.17 4.61 1.70 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.92 0.81 0.00 0.00 67 L 8.16 4.70 0.00 1.14 0.75 0.76 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.66 5.17 0.00 3.72 3.29 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 69 T 8.75 4.99 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 1.65 0.00 0.00 70 D 8.71 5.51 0.00 2.99 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 71 S 8.18 4.33 0.00 4.06 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 72 Q 8.73 3.83 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 73 Y 7.83 4.24 0.00 3.27 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 74 L 7.96 3.96 0.00 1.84 1.80 1.14 0.83 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 75 R 7.18 2.51 0.00 0.67 1.25 0.00 2.21 0.00 0.00 2.50 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 76 Q 7.64 3.31 0.00 1.19 0.88 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 2.12 2.10 0.00 77 G 7.13 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 0.00 0.00 0.00 78 I 7.43 3.48 1.50 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 -0.22 0.42 0.00 0.00 79 T 7.55 4.04 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 1.07 0.00 0.00 80 Q 7.55 4.28 0.00 1.40 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.77 0.00 0.00 0.00 0.00 0.00 2.03 1.84 0.00 81 W 6.98 3.89 0.00 1.78 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 82 I 6.84 3.37 1.71 0.00 0.00 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 1.54 1.36 0.87 0.00 0.00 83 H 7.95 3.91 0.00 3.16 3.15 0.00 5.93 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 84 N 7.85 4.30 0.00 2.66 2.75 0.00 0.00 6.98 7.68 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 85 W 7.95 4.21 0.00 2.84 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 0.00 0.00 0.00 0.00 86 K 7.55 3.25 0.00 1.74 1.71 0.00 1.69 0.00 0.00 1.58 0.00 0.00 3.12 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.14 7.81 87 K 7.35 3.90 0.00 1.85 1.80 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.29 1.44 7.81 88 R 7.75 4.30 0.00 1.80 1.91 0.00 3.22 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 89 G 7.85 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 90 W 8.51 3.49 0.00 3.51 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 91 K 7.33 5.04 0.00 2.02 1.64 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.35 7.81 92 T 9.03 4.29 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 1.13 0.00 0.00 93 A 8.49 4.02 1.29 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 94 D 8.00 4.73 0.00 2.77 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 95 K 7.79 3.84 0.00 1.94 1.94 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.53 7.81 96 K 7.62 4.57 0.00 1.78 1.66 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.36 7.81 97 P 0.00 4.69 0.00 1.87 1.94 0.00 3.63 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 1.98 2.08 0.00 98 V 7.95 3.66 0.96 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 -0.51 0.00 0.00 0.48 0.00 0.00 99 K 8.29 3.97 0.00 1.79 1.83 0.00 2.07 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.49 7.81 100 N 9.00 4.48 0.00 3.33 3.00 0.00 0.00 6.86 7.68 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 0.00 101 V 7.93 3.64 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 0.78 0.00 0.00 0.68 0.00 0.00 102 D 7.93 4.20 0.00 2.82 2.90 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 0.00 0.00 0.00 103 L 7.72 3.91 0.00 1.55 1.56 0.79 0.86 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 0.00 104 W 8.21 4.56 0.00 3.45 3.54 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 0.00 105 Q 7.93 3.61 0.00 1.83 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 106 R 7.62 3.83 0.00 1.94 2.01 0.00 3.06 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 107 L 8.50 3.99 0.00 1.81 2.04 1.03 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.76 4.58 0.00 3.25 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 0.00 109 A 8.00 4.06 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 0.00 110 A 7.84 4.13 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 0.00 111 L 8.44 4.32 0.00 2.03 1.91 1.31 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.92 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 0.00 0.00 0.00 113 Q 7.73 4.61 0.00 1.81 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.59 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 114 H 7.99 4.97 0.00 2.85 3.17 0.00 5.84 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.91 4.44 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 116 I 8.23 4.49 1.58 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 1.10 0.52 -0.29 0.00 0.00 117 K 8.23 4.30 0.00 1.67 1.63 0.00 1.54 0.00 0.00 1.58 0.00 0.00 2.72 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.14 1.25 7.81 118 W 8.47 4.41 0.00 2.72 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 0.00 119 E 8.63 4.23 0.00 1.82 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 2.18 2.22 0.00 120 W 8.50 5.13 0.00 3.26 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 0.00 121 V 8.93 4.50 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 0.85 0.00 0.00 1.02 0.00 0.00 122 K 8.48 4.52 0.00 1.70 1.66 0.00 1.85 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.41 7.81 123 G 9.05 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 0.00 124 H 8.27 4.76 0.00 3.32 3.42 0.00 5.48 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.02 4.67 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 0.00 126 G 8.01 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 0.00 127 H 8.43 4.87 0.00 3.32 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.35 0.00 2.07 2.07 0.00 3.59 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 129 E 7.80 3.78 0.00 1.16 1.16 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 1.62 2.06 0.00 130 N 8.17 4.44 0.00 2.98 2.96 0.00 0.00 6.90 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.18 3.97 0.00 2.13 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 2.42 2.62 0.00 132 R 8.16 3.94 0.00 1.85 2.10 0.00 3.07 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 133 C 8.10 4.24 0.00 3.29 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 0.00 134 D 8.19 4.46 0.00 3.04 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 0.00 135 E 8.24 3.96 0.00 2.27 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 2.31 2.35 0.00 136 L 8.03 3.95 0.00 1.99 1.70 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.50 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 138 R 7.81 3.85 0.00 1.82 2.01 0.00 3.20 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 139 A 8.09 4.11 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 0.00 140 A 8.16 3.86 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 0.00 141 A 7.65 4.23 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 0.00 142 M 7.52 4.33 0.00 1.95 2.27 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.87 0.00 143 N 7.76 4.98 0.00 2.61 2.63 0.00 0.00 7.16 6.97 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 0.00 144 P 0.00 4.35 0.00 2.23 2.04 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 145 T 8.52 4.39 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 1.15 0.00 0.00 146 L 7.30 4.60 0.00 1.08 1.52 0.59 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.51 4.86 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 2.28 2.32 0.00 148 D 8.49 4.74 0.00 2.53 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 0.00 149 T 8.52 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 1.22 0.00 0.00 150 G 7.63 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 0.00 151 Y 7.75 4.16 0.00 2.95 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 0.00 152 Q 7.24 4.16 0.00 1.81 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.68 0.00 0.00 0.00 0.00 0.00 2.19 2.14 0.00 153 V 7.77 3.77 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 0.75 0.00 0.00 1.07 0.00 0.00 154 E 6.88 4.46 0.00 1.84 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 155 V 8.39 3.67 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.87 0.00 0.00