NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3866 8.2629 120.3497 55.3074 33.2891 176.7804 2 R 4.1039 8.6303 123.2538 57.4812 29.7395 173.8086 3 N 4.6816 8.2178 113.6595 55.1507 40.6431 175.5104 4 K 4.1130 7.4379 119.2266 53.3803 31.9464 181.3595 5 N 4.5261 8.6200 123.5800 52.8958 38.0376 174.4447 6 M 4.1598 8.4763 125.9777 57.2028 32.5648 177.0215 7 S 4.2721 7.5571 110.1782 57.5635 65.0409 174.8149 8 T 4.1681 8.5966 126.0921 63.7731 68.5600 174.6417 9 I 4.1353 8.4283 127.6705 63.2082 38.0045 175.8431 10 Y 4.9339 7.5919 119.0513 56.0095 41.6887 173.4611 11 Q 4.1886 7.8619 126.3488 54.4028 32.1820 173.5410 12 T 4.5583 7.7254 117.3221 60.7745 71.1027 172.0919 13 S 4.7902 8.0255 115.3091 57.4223 66.0382 173.0692 14 A 5.1489 8.3194 121.3364 51.0385 22.5670 175.5502 15 T 4.7580 9.0017 115.6376 61.7101 72.4536 173.4301 16 A 4.9283 8.5987 127.0593 50.5300 22.1553 175.8710 17 S 4.6186 8.6808 112.5085 57.5665 64.7035 174.4165 18 A 4.7122 7.8996 124.2024 51.5696 20.3087 177.5456 19 G 3.7044 7.7733 111.5768 48.7137 0.0000 176.6210 20 R 3.9677 8.5018 122.8922 56.9882 30.3015 176.2219 21 N 4.9858 8.6110 117.0410 49.0189 39.2190 173.8865 22 G 4.0624 7.3974 108.0981 45.7700 0.0000 169.6345 23 V 4.6581 7.9707 113.2378 60.9679 33.0602 176.2919 24 V 4.8813 8.7460 122.0556 60.5868 35.0656 173.9652 25 S 5.1944 8.6801 116.0498 57.0028 66.7302 173.7169 26 T 4.3835 8.7846 112.5691 61.8682 69.2153 175.4092 27 E 4.0728 9.0473 123.9061 59.3943 29.6102 177.9358 28 D 4.4903 8.0689 115.5169 53.1062 39.8191 176.5531 29 K 3.9726 8.4047 118.2782 57.4275 30.3377 176.5626 30 L 4.0729 8.5344 121.4737 56.7783 41.7841 177.1048 31 L 4.7697 8.3133 121.4180 53.1699 44.4447 175.3573 32 E 5.1137 8.8103 125.0648 54.6892 32.8183 175.1388 33 L 4.9014 9.0509 123.5626 53.0680 46.4854 175.2758 34 N 5.0584 8.7325 118.6590 52.3291 40.1180 174.4930 35 L 5.1451 8.7570 122.2015 53.1822 45.2898 175.6472 36 S 4.9325 8.4724 115.4849 56.4280 66.8620 173.1911 37 Y 4.3838 8.4901 118.2219 57.1618 38.9742 174.4286 38 P 4.7699 0.0000 0.0000 62.0750 32.6618 177.2175 39 K 4.2293 8.7345 117.8919 59.0889 32.0305 179.3246 40 E 3.9430 8.2839 116.4539 59.0519 29.4546 177.5571 41 M 4.4105 8.1905 116.7816 54.9898 32.1459 176.8198 42 G 3.7998 8.5665 106.8353 45.3972 0.0000 174.3420 43 G 4.1761 7.5126 109.5367 43.8245 0.0000 174.4780 44 S 4.1176 8.7567 112.7814 58.9492 63.4081 174.4233 45 G 4.0305 7.9441 108.6566 46.6876 0.0000 174.2459 46 T 4.1891 8.0683 108.4710 62.0463 69.6138 173.1933 47 A 4.6041 7.3838 122.8375 51.2151 23.1884 174.8480 48 T 4.5120 8.5146 112.9684 61.6332 70.0568 172.4131 49 N 4.9948 8.2333 117.5280 50.4014 40.3284 173.9226 50 P 4.2974 0.0000 0.0000 65.4503 31.1514 179.0011 51 E 4.0973 8.2239 117.3447 59.4846 29.5973 179.0364 52 Q 4.0428 8.8522 118.5059 59.0349 28.7172 178.8760 53 L 4.1674 8.1923 120.0469 57.8248 41.5786 179.4416 54 F 4.3587 8.6050 120.4314 61.1112 39.2627 177.0644 55 A 3.9618 8.4715 120.7875 55.2190 18.2316 179.8303 56 V 3.6021 8.3039 117.3015 66.0483 31.5586 178.5318 57 G 3.7647 8.2724 107.0277 47.3859 0.0000 175.1680 58 Y 3.1621 8.0122 122.2333 59.8762 38.6894 177.3741 59 A 3.9390 8.1202 121.7990 55.2090 18.3738 179.4513 60 A 3.8720 7.8764 118.9857 55.4802 18.4351 179.3717 61 C 3.9379 8.1100 117.5806 62.5829 31.5332 175.6364 62 F 4.2109 8.7472 122.6974 61.1723 39.0135 176.9640 63 S 4.0429 8.4023 113.0842 61.6047 62.1159 175.8520 64 N 4.2779 8.4119 119.0344 56.3939 38.2956 177.2682 65 A 3.9582 8.0475 122.1356 55.1230 18.3602 179.7696 66 I 3.5068 7.6340 118.3730 64.4938 37.1033 178.7283 67 L 3.9406 7.9761 119.8380 57.7105 41.3747 178.9757 68 H 4.0532 8.5440 118.7433 59.4115 29.8806 177.5518 69 V 3.5051 7.9116 119.7238 65.7228 31.2235 177.7210 70 A 3.9435 8.1667 120.8014 55.1319 18.2438 179.4520 71 R 3.7852 8.0609 117.1995 59.8347 29.9343 178.6756 72 E 3.9876 7.9900 116.6070 58.6222 29.4859 178.1465 73 A 4.3438 7.7450 118.3393 50.8381 19.2924 176.8744 74 K 3.6946 7.6845 115.8093 57.2761 30.3650 175.4455 75 V 4.0519 7.8726 118.3577 60.8778 32.2645 175.0044 76 A 4.1069 8.4874 131.1238 51.8312 18.5881 176.2542 77 L 4.5835 8.1566 124.6104 53.3419 44.8476 175.7907 78 K 4.1064 8.9145 127.7238 58.9871 32.4686 176.3053 79 E 4.7718 7.7487 114.2855 54.8975 33.7629 175.3520 80 A 4.6393 8.0141 121.7091 49.7928 19.1901 173.2376 81 P 4.4630 0.0000 0.0000 61.9232 33.0239 176.0530 82 V 4.9497 8.3890 123.6940 61.3965 34.5464 174.3827 83 T 4.5904 9.0005 124.5552 61.8592 70.5601 173.0463 84 A 4.9539 8.5345 128.5020 50.4673 21.0893 175.7445 85 T 4.5371 8.8852 119.8105 61.6541 71.2888 173.4029 86 V 4.9008 8.6353 126.3916 61.0237 33.9566 174.7449 87 G 4.4007 9.2351 114.5927 44.4075 0.0000 171.4586 88 I 5.2683 8.1966 120.1043 59.3159 41.2838 174.3193 89 G 4.4138 8.7086 114.3745 44.6839 0.0000 170.4928 90 P 4.4740 0.0000 0.0000 62.5624 31.7387 176.2041 91 N 4.4497 8.4336 117.6540 52.7582 37.7552 176.2922 92 G 3.8844 8.0879 106.9423 46.0046 0.0000 173.8749 93 Q 4.3838 8.7340 116.9388 55.3742 29.6287 176.3727 94 G 3.9092 8.5615 106.2451 44.9528 0.0000 173.3828 95 G 4.2977 7.6480 108.9162 43.4880 0.0000 171.6756 96 F 5.2628 8.4953 115.7994 55.6536 43.0223 174.5170 97 A 4.8358 9.2188 122.2986 50.3139 22.7656 174.8791 98 L 5.2722 8.5502 119.7181 53.1540 43.9023 176.1242 99 S 4.9747 9.1195 117.5903 56.6871 66.2265 173.1801 100 V 5.0236 8.2647 120.3141 61.3728 35.0808 173.5022 101 A 5.0861 9.0957 128.8833 50.0061 22.5294 174.6986 102 L 4.8504 8.7021 120.4182 52.6386 45.2489 175.4547 103 A 5.0134 9.3157 125.7505 49.2882 21.3295 174.5304 104 A 5.0882 8.8321 124.6078 51.3097 21.6634 175.4435 105 H 5.2807 8.8936 118.2939 54.1336 31.4560 173.5408 106 I 4.5157 9.6159 124.3237 59.4790 40.7881 176.6526 107 A 4.4360 8.3870 129.0901 50.4339 17.0652 176.4586 108 L 4.6836 7.1836 119.9740 50.9543 46.6645 176.7240 109 E 3.9730 8.7827 121.1048 57.0300 31.2536 177.9202 110 D 4.4021 8.6878 124.8857 57.6829 41.0124 179.0493 111 E 4.0762 8.4691 118.5683 59.3557 29.5374 179.2217 112 Q 3.9767 8.6767 118.1260 58.8217 28.7219 178.6187 113 A 3.9640 8.3962 122.2054 55.1329 18.3511 179.5302 114 R 3.8053 8.4469 117.5764 59.5877 30.1446 178.3019 115 Q 3.9543 8.1422 119.1859 59.2491 28.9472 178.3971 116 L 3.9266 7.8558 119.7106 58.0278 41.7585 179.8738 117 V 3.4749 7.9834 118.1395 65.9993 31.1724 178.2258 118 T 3.9489 8.0412 115.3279 66.5914 68.6255 176.4082 119 V 3.7289 7.8724 119.8916 66.0039 31.5623 177.7585 120 A 3.9336 8.2355 120.8066 55.5476 17.9232 179.0150 121 H 4.7336 8.2938 115.2326 59.0291 30.0085 177.0444 122 Q 4.1995 7.9470 119.3942 58.4383 28.7827 177.8496 123 V 4.0657 7.5683 111.5020 61.6846 32.5640 176.2136 124 C 4.2091 7.9124 120.4385 58.8810 32.0213 172.6789 125 P 4.3714 0.0000 0.0000 66.1231 30.8540 178.2944 126 Y 3.8935 8.1501 116.2960 60.8591 37.5308 178.2172 127 S 4.5326 8.0933 117.0097 61.3388 62.8395 176.3891 128 N 4.3710 8.2510 117.8114 56.1596 38.2941 177.0627 129 A 4.1198 7.9585 121.6493 54.3836 18.7410 179.0730 130 V 4.1952 7.5506 108.5276 60.0132 32.3720 176.0297 131 R 4.0189 7.1229 120.1771 58.0184 30.1779 176.4671 132 G 4.0848 9.0892 113.6335 45.5924 0.0000 173.9174 133 N 4.6077 8.0979 115.4005 54.7422 39.5023 175.1701 134 I 4.3637 7.6728 117.8070 59.4196 38.8763 175.5382 135 D 4.5818 8.5093 125.4775 52.9291 39.8982 174.7581 136 V 3.9212 8.1048 125.7707 62.6970 32.6137 175.4165 137 Q 4.3190 8.9812 127.9753 55.0316 29.2830 174.3284 138 V 4.6904 8.0763 124.7893 61.0532 33.5038 174.6056 139 S 5.2231 9.0390 121.8499 56.5269 67.0493 173.1152 140 V 4.4964 8.4345 120.6474 61.5587 34.3676 175.1530 141 N 4.1156 10.1767 126.7909 54.2813 36.5939 175.6650 142 G 3.9417 8.5944 105.5326 44.9991 0.0000 173.6163 143 L 4.5539 7.5622 122.1060 52.5254 43.6847 175.5309 144 A 4.3970 8.4283 128.7072 52.2302 19.0418 176.9966 145 L 4.1610 8.6782 123.0362 55.3471 42.0869 176.6395 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 8.26 4.39 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 2 R 8.63 4.10 0.00 1.95 1.82 0.00 3.30 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.28 0.00 3 N 8.22 4.68 0.00 2.70 2.89 0.00 0.00 6.86 7.61 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 4 K 7.44 4.11 0.00 1.83 1.61 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.24 7.81 5 N 8.62 4.53 0.00 2.66 2.80 0.00 0.00 7.28 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 M 8.48 4.16 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.52 0.00 7 S 7.56 4.27 0.00 3.73 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 8 T 8.60 4.17 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 1.24 0.00 0.00 9 I 8.43 4.14 1.94 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.71 0.96 0.00 0.00 10 Y 7.59 4.93 0.00 2.78 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 7.86 4.19 0.00 1.86 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.56 0.00 0.00 0.00 0.00 0.00 2.08 2.19 0.00 12 T 7.73 4.56 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 1.17 0.00 0.00 13 S 8.03 4.79 0.00 3.86 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.32 5.15 1.21 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 0.00 0.00 15 T 9.00 4.76 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 16 A 8.60 4.93 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 0.00 0.00 0.00 0.00 0.00 17 S 8.68 4.62 0.00 3.92 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 18 A 7.90 4.71 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 19 G 7.77 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.50 3.97 0.00 1.19 1.19 0.00 3.09 0.00 0.00 2.97 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.44 0.00 21 N 8.61 4.99 0.00 2.63 2.65 0.00 0.00 6.88 8.49 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 22 G 7.40 4.06 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 0.00 0.00 0.00 23 V 7.97 4.66 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 0.74 0.00 0.00 0.92 0.00 0.00 24 V 8.75 4.88 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 0.83 0.00 0.00 0.96 0.00 0.00 25 S 8.68 5.19 0.00 3.90 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 26 T 8.78 4.38 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 1.24 0.00 0.00 27 E 9.05 4.07 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 28 D 8.07 4.49 0.00 2.78 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 K 8.40 3.97 0.00 1.90 1.95 0.00 1.73 0.00 0.00 1.91 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.37 1.54 7.81 30 L 8.53 4.07 0.00 1.75 1.76 1.01 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.31 4.77 0.00 1.76 1.52 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.81 5.11 0.00 1.84 1.80 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 2.20 2.41 0.00 33 L 9.05 4.90 0.00 1.52 1.49 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.73 5.06 0.00 2.60 2.72 0.00 0.00 6.76 7.85 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 35 L 8.76 5.15 0.00 1.55 1.50 0.87 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.47 4.93 0.00 3.85 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 37 Y 8.49 4.38 0.00 2.93 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 38 P 0.00 4.77 0.00 2.44 2.21 0.00 3.89 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.03 0.00 39 K 8.73 4.23 0.00 1.82 1.94 0.00 2.25 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.41 7.81 40 E 8.28 3.94 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 41 M 8.19 4.41 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.47 0.00 42 G 8.57 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.51 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 44 S 8.76 4.12 0.00 4.01 4.03 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 45 G 7.94 4.03 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 0.00 46 T 8.07 4.19 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 47 A 7.38 4.60 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 48 T 8.51 4.51 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 1.21 0.00 0.00 49 N 8.23 4.99 0.00 2.78 2.99 0.00 0.00 5.98 7.76 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 50 P 0.00 4.30 0.00 2.15 2.12 0.00 3.52 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 51 E 8.22 4.10 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 52 Q 8.85 4.04 0.00 2.25 2.18 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 2.41 2.57 0.00 53 L 8.19 4.17 0.00 1.92 1.81 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.60 4.36 0.00 3.30 3.31 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 55 A 8.47 3.96 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 56 V 8.30 3.60 2.17 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 1.01 0.00 0.00 0.96 0.00 0.00 57 G 8.27 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 Y 8.01 3.16 0.00 2.52 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.12 3.94 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.88 3.87 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 61 C 8.11 3.94 0.00 2.53 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 8.75 4.21 0.00 3.21 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 4.04 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 64 N 8.41 4.28 0.00 2.98 2.83 0.00 0.00 6.97 8.66 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 65 A 8.05 3.96 1.26 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 0.00 0.00 66 I 7.63 3.51 1.85 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.16 0.82 0.00 0.00 67 L 7.98 3.94 0.00 1.81 1.69 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.54 4.05 0.00 3.24 3.53 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.91 3.51 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 0.92 0.00 0.00 0.98 0.00 0.00 70 A 8.17 3.94 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 71 R 8.06 3.79 0.00 1.94 2.03 0.00 3.08 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 72 E 7.99 3.99 0.00 2.04 1.94 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 2.30 2.29 0.00 73 A 7.74 4.34 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 74 K 7.68 3.69 0.00 1.90 1.87 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.33 7.81 75 V 7.87 4.05 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 0.74 0.00 0.00 0.91 0.00 0.00 76 A 8.49 4.11 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 77 L 8.16 4.58 0.00 1.51 1.48 0.91 0.63 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 78 K 8.91 4.11 0.00 1.75 1.80 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.45 7.81 79 E 7.75 4.77 0.00 1.92 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 0.00 2.19 2.22 0.00 80 A 8.01 4.64 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 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.46 0.00 2.13 2.01 0.00 3.88 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 82 V 8.39 4.95 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.17 0.00 0.00 83 T 9.00 4.59 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 84 A 8.53 4.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.89 4.54 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 1.21 0.00 0.00 86 V 8.64 4.90 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 1.02 0.00 0.00 1.13 0.00 0.00 87 G 9.24 4.40 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 0.00 0.00 0.00 88 I 8.20 5.27 1.91 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.24 0.94 0.00 0.00 89 G 8.71 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.47 0.00 2.04 1.89 0.00 3.82 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 1.97 1.97 0.00 91 N 8.43 4.45 0.00 2.75 2.90 0.00 0.00 7.00 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 92 G 8.09 3.88 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 0.00 0.00 0.00 93 Q 8.73 4.38 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.44 0.00 0.00 0.00 0.00 0.00 2.47 2.36 0.00 94 G 8.56 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 95 G 7.65 4.30 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 0.00 96 F 8.50 5.26 0.00 2.94 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 97 A 9.22 4.84 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.55 5.27 0.00 1.49 1.62 0.46 0.86 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 99 S 9.12 4.97 0.00 3.86 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 0.00 100 V 8.26 5.02 2.19 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 0.82 0.00 0.00 1.28 0.00 0.00 101 A 9.10 5.09 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 0.00 0.00 0.00 0.00 0.00 102 L 8.70 4.85 0.00 0.92 0.90 -0.83 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 103 A 9.32 5.01 1.18 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 0.00 104 A 8.83 5.09 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 0.00 105 H 8.89 5.28 0.00 3.03 3.21 0.00 5.60 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 9.62 4.52 1.86 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 1.22 0.85 0.90 0.00 0.00 107 A 8.39 4.44 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 7.18 4.68 0.00 1.56 1.51 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.78 3.97 0.00 1.99 1.84 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 2.38 2.37 0.00 110 D 8.69 4.40 0.00 2.73 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 0.00 111 E 8.47 4.08 0.00 2.23 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 2.40 2.34 0.00 112 Q 8.68 3.98 0.00 2.24 2.14 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 2.37 2.52 0.00 113 A 8.40 3.96 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 0.00 114 R 8.45 3.81 0.00 1.84 2.16 0.00 3.29 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 115 Q 8.14 3.95 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 116 L 7.86 3.93 0.00 1.90 1.65 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 117 V 7.98 3.47 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 1.18 0.00 0.00 0.96 0.00 0.00 118 T 8.04 3.95 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 119 V 7.87 3.73 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.96 0.00 0.00 120 A 8.24 3.93 1.07 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 0.00 121 H 8.29 4.73 0.00 3.59 3.69 0.00 5.95 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 0.00 122 Q 7.95 4.20 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.68 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 123 V 7.57 4.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.01 0.00 0.00 124 C 7.91 4.21 0.00 3.30 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 0.00 125 P 0.00 4.37 0.00 2.39 2.35 0.00 3.82 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.13 0.00 126 Y 8.15 3.89 0.00 2.29 1.77 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 0.00 127 S 8.09 4.53 0.00 4.24 4.06 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 0.00 128 N 8.25 4.37 0.00 2.73 2.90 0.00 0.00 7.05 6.94 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 0.00 129 A 7.96 4.12 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 0.00 130 V 7.55 4.20 2.19 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 0.93 0.00 0.00 1.24 0.00 0.00 131 R 7.12 4.02 0.00 1.93 1.88 0.00 3.34 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 132 G 9.09 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 0.00 133 N 8.10 4.61 0.00 2.90 2.88 0.00 0.00 6.80 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 I 7.67 4.36 2.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.63 1.01 0.00 0.00 135 D 8.51 4.58 0.00 2.64 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 0.00 136 V 8.10 3.92 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 0.62 0.00 0.00 1.14 0.00 0.00 137 Q 8.98 4.32 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.57 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 138 V 8.08 4.69 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 1.07 0.00 0.00 0.57 0.00 0.00 139 S 9.04 5.22 0.00 3.90 3.86 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 0.00 140 V 8.43 4.50 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.96 0.00 0.00 141 N 10.18 4.12 0.00 2.86 2.88 0.00 0.00 7.25 7.28 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 0.00 142 G 8.59 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 0.00 0.00 0.00 143 L 7.56 4.55 0.00 1.73 1.52 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.43 4.40 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 0.00 145 L 8.68 4.16 0.00 1.78 1.57 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00