NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4109 8.2893 120.3486 55.3784 33.1419 174.6471 2 N 4.6817 8.5975 124.0039 51.3111 38.9938 172.9712 3 I 4.5796 8.8204 121.3403 59.5646 41.8237 176.3693 4 I 4.3490 8.3196 123.9146 59.6458 38.4048 175.1400 5 K 4.4249 8.6004 124.9385 54.4043 33.8756 176.3419 6 A 4.5478 8.3886 126.5915 50.8156 20.6203 174.9359 7 N 5.0503 8.1801 116.7751 51.9537 41.4952 175.5682 8 V 3.8711 8.1700 114.0491 62.6916 32.2883 176.8275 9 A 4.2654 8.0470 123.6456 52.0785 18.6250 178.1302 10 A 4.6636 8.3135 124.0139 51.1836 21.4357 174.0022 11 P 4.7899 0.0000 0.0000 64.8408 32.1860 178.8057 12 D 4.6993 8.0657 115.7298 54.2878 40.5770 175.8171 13 A 4.5970 7.6480 124.5767 51.9506 20.0798 178.2700 14 R 4.8412 9.6100 120.8322 55.0843 32.7398 175.7588 15 V 4.9475 8.9046 124.2424 59.9936 34.8694 173.9398 16 A 4.9259 8.4284 128.4422 50.0666 21.6027 175.1556 17 I 4.7917 8.6653 123.5403 59.5495 39.5100 174.6841 18 T 4.8015 8.6065 117.5869 59.9286 70.8715 173.3024 19 I 5.2181 8.2872 126.3802 58.2558 40.5498 174.4466 20 A 5.0537 8.4244 127.8234 51.2205 19.2126 177.9472 21 R 4.4401 9.3097 119.5838 58.4453 30.2538 176.9651 22 F 4.6064 8.2283 121.4330 59.9532 39.6741 174.3638 23 N 4.6852 9.8533 123.8635 54.4444 35.6040 176.0534 24 Q 4.1511 8.3621 120.5105 59.5163 28.0445 178.0376 25 F 3.9040 8.4873 121.3990 61.1355 39.4106 176.4118 26 I 4.2248 8.2854 118.6628 63.6334 37.5928 177.7543 27 N 4.3797 8.2666 116.6385 56.2668 38.2854 176.9568 28 D 4.5618 8.7635 120.8779 57.6303 40.9914 178.8167 29 S 4.0756 7.9665 112.9944 61.0253 62.4349 175.5025 30 L 4.0628 7.7821 123.2269 58.7065 41.7559 178.1890 31 L 3.8768 8.5693 120.7018 57.5114 41.9414 178.6399 32 D 4.5007 8.6159 118.3951 57.3397 40.9585 179.8806 33 G 3.5450 8.1676 105.8493 47.7203 0.0000 175.3994 34 A 3.9390 7.9976 124.0165 54.6681 18.4589 179.5322 35 V 3.4533 7.7544 116.0032 66.3095 31.5155 177.1690 36 D 4.3067 8.1180 117.1375 57.7367 40.9581 177.6992 37 A 3.8965 8.2707 120.9864 55.7792 18.3946 179.0443 38 L 3.8589 8.5047 116.4612 59.2408 41.8467 179.8705 39 T 4.2087 8.2431 110.8704 64.0267 68.6302 176.2736 40 R 3.8575 8.0925 123.7780 58.2888 30.6464 177.9876 41 I 4.0764 8.0131 117.1674 63.5153 37.8070 177.1136 42 G 3.7783 7.9602 106.5145 45.2684 0.0000 174.1111 43 Q 3.7063 8.2730 117.7831 56.4175 26.8353 173.2824 44 V 3.9211 7.4671 118.6965 62.3929 32.1562 175.2932 45 K 4.2408 8.5840 128.9533 56.3057 32.5536 176.5718 46 D 4.6717 8.8013 124.4169 54.0158 39.1609 176.1996 47 D 4.7815 7.9730 117.3009 53.7667 40.1889 176.3559 48 N 4.7112 8.4916 117.8367 53.7041 39.3530 174.1267 49 I 4.9444 7.5861 120.2122 60.2909 38.4550 175.2190 50 T 4.7144 8.8437 117.1773 59.7125 71.9785 172.9607 51 V 4.6132 8.4242 123.7106 61.0716 34.0707 174.5245 52 V 4.3098 8.9904 129.0009 60.7999 33.6870 174.4779 53 W 4.8818 8.9705 129.0297 56.5345 29.5926 176.4250 54 V 4.4492 8.7179 119.0950 58.9806 33.8976 174.8487 55 P 4.3168 0.0000 0.0000 65.2246 31.4522 176.9394 56 G 4.5308 7.9752 108.5646 42.6972 0.0000 174.0960 57 A 4.0388 8.5018 120.6845 54.9595 18.0540 179.2791 58 Y 4.1881 8.1659 117.0593 60.7070 39.2299 177.4843 59 E 4.1216 8.2502 119.2516 58.1290 29.6169 178.7108 60 L 3.8723 7.5289 119.5929 58.0845 41.6013 177.0463 61 P 4.1689 0.0000 0.0000 64.9048 31.1445 178.0273 62 L 3.9093 7.6768 117.9220 58.4396 42.3858 179.3283 63 A 3.9824 7.8062 120.0835 55.5987 18.3163 179.8314 64 T 3.8377 8.1938 108.4655 64.4873 68.7439 176.1858 65 E 3.8416 8.9249 123.0650 59.2056 29.5942 178.2854 66 A 4.0082 7.9764 120.5442 55.6203 18.1882 179.6023 67 L 4.0745 7.5885 114.8345 57.8816 41.9599 179.5153 68 A 4.2133 8.3390 120.8515 55.1933 18.2326 179.7782 69 K 3.9148 8.2225 116.1723 59.6943 32.1463 178.9396 70 S 4.2001 8.1415 112.9148 59.4931 61.2232 175.8807 71 G 4.0022 8.3362 107.9951 45.6744 0.0000 175.5210 72 K 3.9479 7.7672 118.6326 58.2935 32.1732 176.7060 73 Y 5.0373 6.9439 115.2703 56.2028 40.5712 175.3818 74 D 4.7217 9.1538 121.9552 56.0732 41.8391 176.4894 75 A 4.5234 7.3267 117.4354 51.2716 22.5121 175.0968 76 V 4.6798 8.1504 119.8045 61.0281 34.6290 174.5143 77 V 4.3502 8.7121 128.2845 61.5605 33.2507 174.2112 78 A 4.9094 8.6039 130.4552 49.7786 20.6958 175.2861 79 L 5.2101 7.9847 123.0824 52.6198 44.5780 176.3886 80 G 4.1794 7.7162 108.4093 45.9956 0.0000 171.8583 81 T 5.0647 8.4992 115.8417 61.5368 72.1691 174.3652 82 V 4.2190 9.0214 125.0880 61.3884 34.1752 173.9019 83 I 4.7348 8.2010 128.6823 59.5637 38.8006 175.9299 84 R 3.6858 8.3733 127.6363 56.4946 30.2844 176.3100 85 G 4.4323 8.3573 116.2317 44.3372 0.0000 172.9212 86 G 3.6479 8.7777 107.6944 47.3835 0.0000 173.2039 87 T 4.5348 7.5881 108.4147 59.6881 71.6176 173.5189 88 A 4.4566 8.3731 121.2342 52.7616 18.8761 178.5839 89 H 4.2604 8.3928 119.7242 60.3085 29.7324 176.8653 90 F 4.0202 8.4846 121.8792 61.5858 39.0001 176.6372 91 E 3.5992 7.9472 118.2352 59.5361 29.3619 178.3998 92 Y 4.3199 7.3825 115.9016 60.7869 38.2065 177.5267 93 V 3.6807 7.6700 119.2210 65.8228 31.6058 177.7965 94 A 4.0872 7.8138 120.2275 55.2025 18.1193 179.6645 95 G 3.6163 8.1785 104.6457 47.7915 0.0000 176.0057 96 G 3.8927 8.6486 108.0829 45.6970 0.0000 174.7364 97 A 4.3132 7.8060 122.5468 54.3161 19.7401 179.0957 98 S 4.1580 8.2138 111.7598 61.8739 62.3498 176.2792 99 N 4.4326 8.4423 119.2309 56.0199 38.3283 177.3458 100 G 3.7464 7.6748 105.8267 48.1057 0.0000 175.4384 101 L 3.9864 8.0783 121.5757 57.2428 41.8631 179.6228 102 A 3.9895 8.0215 120.5550 55.0724 18.2572 179.5581 103 S 3.9603 8.3815 111.9141 61.5253 62.4587 176.1635 104 V 3.5499 7.7346 120.7090 66.2739 31.1225 177.7084 105 A 4.3753 7.8197 121.1712 54.8197 17.9984 179.4383 106 Q 3.8994 7.6603 116.2680 59.1354 29.1381 177.7624 107 D 4.5384 8.0548 119.4486 56.9296 41.2910 178.4831 108 S 4.3454 8.3842 113.0911 58.7429 63.4612 175.6689 109 G 3.9029 8.1277 109.5462 45.7017 0.0000 173.7826 110 V 3.9734 7.6456 121.0848 61.6193 33.1057 173.5781 111 P 4.5651 0.0000 0.0000 62.6489 32.4810 175.1575 112 V 4.9169 8.3883 123.7251 61.0020 33.9906 174.2882 113 A 4.3831 8.8243 130.4429 51.1439 20.1607 176.2744 114 F 4.7597 9.0223 126.7838 56.2565 38.4712 175.9069 115 G 3.9694 8.1141 118.2985 44.9458 0.0000 171.0729 116 V 4.5883 6.1378 117.6341 60.5601 33.7771 176.0456 117 L 4.2522 8.6735 129.4768 55.1279 42.7530 176.6511 118 T 5.1273 8.7920 112.9579 58.6814 69.0013 172.5952 119 T 4.6158 8.1792 120.9237 60.9824 72.1064 174.8319 120 E 4.1663 9.8401 120.6008 57.2763 30.5749 177.3194 121 S 4.7044 7.5913 111.9396 55.5724 67.5766 174.7603 122 I 3.6829 8.2804 123.4503 64.3615 36.6857 178.0076 123 E 3.8998 8.2376 119.7797 59.7518 29.1447 178.9752 124 Q 4.1565 7.9488 115.9903 58.7923 29.0291 178.2484 125 A 4.1631 7.8271 121.7524 55.3988 18.3296 179.7191 126 I 3.7504 7.8330 118.2262 64.6698 37.1237 178.5514 127 E 4.5450 8.0159 120.5505 58.0705 29.2878 178.4163 128 R 4.5316 7.9444 115.8307 55.6606 30.5145 176.6976 129 A 4.8037 7.2474 121.9707 52.6415 19.5152 177.1151 130 G 4.4599 8.1103 107.9051 48.1066 0.0000 175.3631 131 T 4.6027 7.5176 115.2688 60.0365 68.8576 175.7713 132 K 3.8090 9.1835 117.1069 59.3129 31.7928 177.8748 133 A 4.5769 7.7991 119.3945 52.0101 19.9595 178.7780 134 G 3.7578 8.0912 110.9904 47.1131 0.0000 173.5911 135 N 5.2754 8.2348 117.5874 50.9669 40.8371 175.6883 136 K 4.0155 8.9113 128.8333 58.9555 32.0733 179.0816 137 G 4.0748 8.3168 107.6375 47.3706 0.0000 175.6486 138 A 4.0336 7.8619 123.3939 54.3179 18.4995 179.2194 139 E 3.8498 8.5098 118.0444 59.3245 29.7116 178.9070 140 A 4.0735 8.6041 122.3430 54.3733 18.3962 179.3958 141 A 3.8956 8.1843 119.4808 55.3177 18.3945 179.9001 142 L 3.9206 8.0899 117.7372 58.2172 41.2992 179.9530 143 T 3.8475 8.0775 109.2194 64.3517 68.5000 176.3925 144 A 3.9682 7.8925 124.0445 55.1478 18.3542 179.1430 145 L 3.8759 7.8244 117.2603 58.1759 41.7473 179.2200 146 E 4.1817 8.3291 120.3116 59.0788 29.4596 178.9914 147 M 4.0446 7.9352 117.8017 58.3703 31.9370 178.3880 148 I 3.6774 7.7360 119.9609 64.8764 37.2782 178.1410 149 N 4.3137 7.9348 116.8115 56.1931 38.1569 177.4921 150 V 3.5802 7.9015 119.0134 66.2688 31.7839 177.8285 151 L 4.0729 8.4833 118.8372 57.7107 41.3440 179.2758 152 K 3.9654 8.1608 118.9453 59.4997 32.1805 176.9085 153 A 4.4834 8.0661 119.9313 51.9107 19.4971 177.3006 154 I 3.9340 8.0440 128.4450 63.6107 38.7443 174.7571 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 8.29 4.41 0.00 1.99 2.06 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 2.48 2.54 0.00 2 N 8.60 4.68 0.00 2.95 2.79 0.00 0.00 6.06 6.93 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 3 I 8.82 4.58 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.67 0.91 0.00 0.00 4 I 8.32 4.35 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.61 0.91 0.00 0.00 5 K 8.60 4.42 0.00 1.71 1.71 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.39 4.55 1.23 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 0.00 0.00 7 N 8.18 5.05 0.00 2.73 2.64 0.00 0.00 6.86 7.71 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 8 V 8.17 3.87 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 0.75 0.00 0.00 0.93 0.00 0.00 9 A 8.05 4.27 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 10 A 8.31 4.66 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 11 P 0.00 4.79 0.00 2.23 2.38 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 12 D 8.07 4.70 0.00 2.69 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 13 A 7.65 4.60 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 14 R 9.61 4.84 0.00 1.42 1.78 0.00 3.21 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.90 4.95 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 0.90 0.00 0.00 0.95 0.00 0.00 16 A 8.43 4.93 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.67 4.79 1.68 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.87 0.69 0.00 0.00 18 T 8.61 4.80 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 19 I 8.29 5.22 0.73 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 -0.04 0.37 0.00 0.00 20 A 8.42 5.05 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 21 R 9.31 4.44 0.00 2.09 2.53 0.00 2.87 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.63 0.00 22 F 8.23 4.61 0.00 3.17 2.99 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 0.00 0.00 0.00 23 N 9.85 4.69 0.00 2.98 3.00 0.00 0.00 6.88 8.21 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 24 Q 8.36 4.15 0.00 2.52 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.49 3.90 0.00 3.12 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 26 I 8.29 4.22 2.12 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.97 0.95 0.00 0.00 27 N 8.27 4.38 0.00 2.88 2.92 0.00 0.00 7.09 8.08 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 28 D 8.76 4.56 0.00 2.66 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.97 4.08 0.00 3.81 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 30 L 7.78 4.06 0.00 1.93 1.63 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.57 3.88 0.00 1.77 1.78 0.78 1.06 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 32 D 8.62 4.50 0.00 2.86 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 33 G 8.17 3.55 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 34 A 8.00 3.94 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 35 V 7.75 3.45 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 1.02 0.00 0.00 0.95 0.00 0.00 36 D 8.12 4.31 0.00 2.83 2.89 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 37 A 8.27 3.90 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 38 L 8.50 3.86 0.00 1.85 1.73 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.24 4.21 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 40 R 8.09 3.86 0.00 1.81 2.25 0.00 3.24 0.00 0.00 3.46 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 41 I 8.01 4.08 2.08 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.97 0.91 0.00 0.00 42 G 7.96 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 43 Q 8.27 3.71 0.00 2.36 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 44 V 7.47 3.92 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 0.98 0.00 0.00 0.99 0.00 0.00 45 K 8.58 4.24 0.00 1.80 1.68 0.00 1.92 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.80 4.67 0.00 2.83 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 47 D 7.97 4.78 0.00 2.79 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.49 4.71 0.00 2.88 2.99 0.00 0.00 6.92 7.16 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 49 I 7.59 4.94 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.52 0.89 0.00 0.00 50 T 8.84 4.71 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 1.51 0.00 0.00 51 V 8.42 4.61 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 0.49 0.00 0.00 0.84 0.00 0.00 52 V 8.99 4.31 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 0.93 0.00 0.00 0.86 0.00 0.00 53 W 8.97 4.88 0.00 3.21 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 54 V 8.72 4.45 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 0.81 0.00 0.00 1.11 0.00 0.00 55 P 0.00 4.32 0.00 2.19 2.32 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 56 G 7.98 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.50 4.04 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 58 Y 8.17 4.19 0.00 2.93 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 59 E 8.25 4.12 0.00 1.99 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 2.63 2.57 0.00 60 L 7.53 3.87 0.00 1.79 1.69 0.89 0.83 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 61 P 0.00 4.17 0.00 2.03 1.86 0.00 3.66 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 2.06 2.10 0.00 62 L 7.68 3.91 0.00 1.63 1.66 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.81 3.98 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 64 T 8.19 3.84 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 1.27 0.00 0.00 65 E 8.92 3.84 0.00 1.98 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 2.31 2.34 0.00 66 A 7.98 4.01 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 67 L 7.59 4.07 0.00 1.77 1.65 0.64 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.34 4.21 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 69 K 8.22 3.91 0.00 1.73 1.91 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.61 7.81 70 S 8.14 4.20 0.00 3.92 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 0.00 71 G 8.34 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 72 K 7.77 3.95 0.00 1.30 0.74 0.00 1.53 0.00 0.00 1.42 0.00 0.00 2.76 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.19 1.22 7.81 73 Y 6.94 5.04 0.00 3.09 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 74 D 9.15 4.72 0.00 2.55 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 75 A 7.33 4.52 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.15 4.68 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 0.95 0.00 0.00 0.85 0.00 0.00 77 V 8.71 4.35 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 0.88 0.00 0.00 0.88 0.00 0.00 78 A 8.60 4.91 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 79 L 7.98 5.21 0.00 1.38 1.40 0.80 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 80 G 7.72 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 81 T 8.50 5.06 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 82 V 9.02 4.22 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 0.91 0.00 0.00 0.87 0.00 0.00 83 I 8.20 4.73 1.85 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 1.24 0.70 0.88 0.00 0.00 84 R 8.37 3.69 0.00 0.67 1.40 0.00 3.07 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.17 0.00 85 G 8.36 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 0.00 0.00 0.00 0.00 86 G 8.78 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.59 4.53 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 88 A 8.37 4.46 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 89 H 8.39 4.26 0.00 3.30 3.42 0.00 5.63 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 90 F 8.48 4.02 0.00 3.10 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 91 E 7.95 3.60 0.00 1.94 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 0.00 0.00 0.00 2.00 2.17 0.00 92 Y 7.38 4.32 0.00 2.99 2.89 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 93 V 7.67 3.68 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 1.05 0.00 0.00 0.77 0.00 0.00 94 A 7.81 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.18 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.65 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 0.00 0.00 0.00 97 A 7.81 4.31 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 98 S 8.21 4.16 0.00 3.72 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 99 N 8.44 4.43 0.00 2.81 2.83 0.00 0.00 6.95 7.17 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 0.00 100 G 7.67 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 0.00 101 L 8.08 3.99 0.00 1.89 1.82 1.02 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.02 3.99 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 0.00 103 S 8.38 3.96 0.00 3.95 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 0.00 104 V 7.73 3.55 2.23 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 1.04 0.00 0.00 0.98 0.00 0.00 105 A 7.82 4.38 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 0.00 106 Q 7.66 3.90 0.00 2.08 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.05 4.54 0.00 2.70 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 0.00 108 S 8.38 4.35 0.00 4.02 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 0.00 109 G 8.13 3.90 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 0.00 0.00 0.00 110 V 7.65 3.97 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 1.00 0.00 0.00 0.98 0.00 0.00 111 P 0.00 4.57 0.00 2.12 1.97 0.00 3.78 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 112 V 8.39 4.92 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 0.86 0.00 0.00 0.99 0.00 0.00 113 A 8.82 4.38 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 0.00 114 F 9.02 4.76 0.00 3.00 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 0.00 115 G 8.11 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 0.00 116 V 6.14 4.59 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 0.66 0.00 0.00 -0.01 0.00 0.00 117 L 8.67 4.25 0.00 1.63 1.58 0.92 0.38 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 0.00 118 T 8.79 5.13 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 119 T 8.18 4.62 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 1.26 0.00 0.00 120 E 9.84 4.17 0.00 1.95 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 2.30 2.30 0.00 121 S 7.59 4.70 0.00 3.95 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 0.00 122 I 8.28 3.68 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.35 0.87 0.00 0.00 123 E 8.24 3.90 0.00 2.06 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 2.38 2.49 0.00 124 Q 7.95 4.16 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 125 A 7.83 4.16 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 0.00 126 I 7.83 3.75 2.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.92 0.99 0.00 0.00 127 E 8.02 4.55 0.00 2.20 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 2.34 2.39 0.00 128 R 7.94 4.53 0.00 1.87 1.94 0.00 3.11 0.00 0.00 3.19 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 129 A 7.25 4.80 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 0.00 130 G 8.11 4.46 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 0.00 131 T 7.52 4.60 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 1.23 0.00 0.00 132 K 9.18 3.81 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.49 7.81 133 A 7.80 4.58 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 0.00 134 G 8.09 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 0.00 135 N 8.23 5.28 0.00 2.70 2.66 0.00 0.00 6.94 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.91 4.02 0.00 1.83 1.82 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.47 7.81 137 G 8.32 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 0.00 138 A 7.86 4.03 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 0.00 0.00 139 E 8.51 3.85 0.00 2.04 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 2.31 2.33 0.00 140 A 8.60 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 0.00 141 A 8.18 3.90 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 0.00 142 L 8.09 3.92 0.00 1.98 1.72 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.08 3.85 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 1.27 0.00 0.00 144 A 7.89 3.97 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 0.00 145 L 7.82 3.88 0.00 1.85 1.90 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.33 4.18 0.00 2.02 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 2.32 2.24 0.00 147 M 7.94 4.04 0.00 2.09 2.34 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 2.90 0.00 148 I 7.74 3.68 2.04 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 1.68 0.91 0.92 0.00 0.00 149 N 7.93 4.31 0.00 2.90 2.86 0.00 0.00 6.73 7.89 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 0.00 150 V 7.90 3.58 2.23 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 0.83 0.00 0.00 1.00 0.00 0.00 151 L 8.48 4.07 0.00 1.84 1.69 0.92 0.77 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 0.00 152 K 8.16 3.97 0.00 1.83 2.09 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.51 7.81 153 A 8.07 4.48 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 0.00 154 I 8.04 3.93 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.67 0.91 0.00 0.00