NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 P 4.3452 0.0000 0.0000 59.6880 34.5053 179.9726 13 K 3.7309 7.7987 120.1194 56.0077 29.8671 176.6946 14 G 4.0284 9.3092 108.2437 46.6292 0.0000 173.3624 15 V 4.4811 7.0508 109.8641 59.6136 36.1308 176.1761 16 S 4.2807 9.3171 121.8428 58.4851 62.0731 174.3592 17 V 3.8995 8.2632 126.2921 62.8988 31.3247 175.5714 18 E 3.7775 7.7554 116.9085 56.3205 29.7868 177.1426 19 V 4.2243 8.1121 121.0304 61.3303 33.0908 174.4100 20 A 4.5230 7.9240 130.6147 49.6741 20.2008 174.1215 21 P 3.9389 0.0000 0.0000 65.7608 31.8763 177.1309 22 G 4.0619 7.9628 102.8959 45.2791 0.0000 171.7695 23 R 4.8511 7.5038 118.4161 54.7277 34.7843 175.6419 24 V 4.9876 8.2018 110.8791 60.9412 33.7010 172.1097 25 K 4.4442 8.2465 120.7538 56.6054 33.3965 177.8197 26 V 4.0787 8.4602 127.1353 61.9994 32.1229 174.6360 27 K 4.7839 8.6262 128.7560 54.8828 33.2080 175.5078 28 G 4.2814 8.0403 114.3719 42.6616 0.0000 169.6149 29 P 4.1984 0.0000 0.0000 65.6781 31.4145 177.8247 30 K 4.1389 8.4117 116.4094 56.6638 32.3371 177.2440 31 G 4.1513 6.7800 106.3752 44.3655 0.0000 170.7256 32 E 5.1146 7.8615 120.5064 55.1373 31.0993 175.5965 33 L 4.7092 8.1348 122.3561 53.3236 46.4888 175.1807 34 E 4.3391 8.9208 123.4147 55.3521 29.8071 176.0610 35 V 4.4008 7.9896 126.6631 59.6101 30.5196 172.4881 36 P 4.6180 0.0000 0.0000 62.7419 31.9463 176.7038 37 V 4.4377 8.2453 121.4128 60.4267 34.8373 174.9260 38 S 4.0824 8.6754 118.6976 58.5376 62.4182 174.5405 39 P 4.5139 0.0000 0.0000 62.9327 30.3310 175.9386 40 E 4.4771 8.7160 120.6531 55.7389 31.5098 174.8817 41 M 3.0798 9.0958 119.2854 56.1941 30.7266 175.9360 42 R 3.7312 7.7896 126.9158 56.1302 27.6817 175.1258 43 V 4.5353 7.8559 114.4975 58.9781 35.3541 175.7823 44 V 4.6477 7.9383 122.6030 61.7157 33.8370 174.9314 45 V 4.0643 8.1905 115.2759 62.6559 31.6812 177.1931 46 E 3.7739 8.1323 116.2530 57.5306 29.8276 177.7229 47 E 3.7349 8.7755 124.1102 55.3612 29.4396 174.6095 48 G 4.1529 8.5550 107.1754 45.9696 0.0000 174.2540 49 V 4.1587 7.1517 113.5727 60.4884 34.9418 173.6125 50 V 4.5046 8.1503 122.2668 62.3696 34.5938 175.0976 51 R 4.7146 8.3943 122.7529 54.5984 34.2851 174.5691 52 V 4.3501 7.9660 117.4880 60.9587 34.0825 176.2907 53 E 4.2302 8.7886 127.8912 57.7226 29.5321 175.8815 54 R 5.2568 8.3870 130.8911 56.2201 31.4392 173.3494 55 P 4.6534 0.0000 0.0000 62.1790 30.5194 180.2975 56 S 4.3230 9.1064 110.6956 58.7313 63.5563 174.3683 57 D 4.7480 8.2420 121.4568 52.8953 39.3514 175.8646 58 E 4.6358 7.4600 120.7504 54.4360 32.2553 177.1916 59 R 4.2220 8.4902 119.5254 57.1810 29.8033 177.0090 60 R 4.5662 7.7603 114.4489 56.6146 32.6050 176.3969 61 H 4.7589 8.0287 114.3195 57.6803 30.2326 177.1329 62 K 3.8714 8.3972 119.1839 59.9794 31.9968 178.8457 63 S 4.5196 8.0291 111.1206 58.8521 62.5283 174.6306 64 L 4.6801 8.3643 121.8657 55.6786 44.1137 176.8222 65 H 4.5890 7.8436 116.6012 56.0849 30.2444 175.7902 66 G 4.2187 7.9253 105.2868 46.6905 0.0000 175.6212 67 L 4.0715 7.9431 120.3127 56.8671 42.3962 177.1805 68 T 4.5663 7.9069 113.4539 63.5719 70.5238 175.7923 69 R 4.0890 7.4248 120.4743 58.3651 31.1610 176.4441 70 T 4.3914 7.0463 110.6297 59.7556 68.5872 174.0941 71 L 3.7930 8.7182 121.1105 56.4553 42.3605 176.4998 72 I 3.9051 7.3402 117.7606 63.6312 37.3080 178.1333 73 A 4.0156 7.6126 122.1050 55.3278 18.2295 179.4469 74 N 4.3780 8.1389 114.1743 56.1173 38.5027 177.3734 75 A 4.0871 7.5214 121.5429 54.9879 18.6668 179.2366 76 V 3.7117 7.8151 117.6937 65.5872 31.3838 178.1048 77 K 4.2832 8.4552 118.7647 59.1656 31.8270 179.5044 78 G 3.4417 7.9128 105.5523 47.3696 0.0000 175.6109 79 V 4.0760 8.3584 114.2829 62.5150 31.8291 176.7414 80 S 4.2760 7.4046 113.8744 58.6890 63.1164 171.1549 81 E 3.8807 8.5356 127.1896 56.3207 26.2259 175.3412 82 G 4.3628 8.3272 116.5145 44.0664 0.0000 171.7895 83 Y 3.6871 9.0584 112.2338 59.8080 37.3439 180.9021 84 S 3.6285 10.2344 122.4751 59.2812 64.4546 170.7888 85 K 3.6181 8.6982 119.6545 56.3952 28.7652 172.6481 86 E 4.8110 7.9800 117.3468 54.2046 31.9933 174.9295 87 L 5.0719 9.1823 125.8078 52.3563 44.4412 175.7526 88 L 5.0051 8.9042 122.7943 53.3466 43.7611 177.2194 89 I 4.1391 8.4176 115.8164 61.0748 39.1813 177.3152 90 K 3.5914 9.0769 121.5666 56.2058 31.2061 173.6055 91 G 4.0563 8.3577 106.8138 45.5369 0.0000 172.5499 92 I 3.3251 8.4722 115.7416 64.1523 36.6392 178.6686 93 G 4.0028 9.0449 115.7126 46.3994 0.0000 173.1826 94 Y 5.3838 7.4310 114.8518 55.5882 41.3032 177.1106 95 R 4.8152 8.0966 115.2365 56.2409 33.4738 173.0982 96 A 5.7052 8.5883 120.2385 49.5858 22.8356 174.6356 97 R 4.7217 8.7989 127.2684 54.5829 31.0960 179.9216 98 L 5.5388 8.0878 135.0000 56.2480 42.7969 170.8659 99 V 4.0924 7.9416 124.7453 61.3047 33.1167 177.3421 100 G 3.9153 8.4944 117.3335 44.9545 0.0000 174.5418 101 R 4.2674 8.4196 116.9251 56.4816 29.6963 176.0498 102 A 4.2208 8.1378 119.7722 49.7197 22.9136 175.8034 103 L 4.9925 7.7521 117.5689 53.8841 44.2343 174.8492 104 E 5.0088 8.5655 120.2589 54.5020 32.4130 174.3667 105 L 4.9488 9.8593 127.2138 53.5297 44.3869 175.9904 106 T 4.9654 8.4714 111.9683 60.0281 70.2255 172.2519 107 V 3.4584 7.7374 120.3755 61.5065 35.0824 176.7611 108 G 3.9508 9.4907 110.9161 45.8904 0.0000 172.6441 109 F 3.7860 8.4428 116.5142 55.4831 40.0381 176.7532 110 S 4.2846 8.7630 119.5954 60.1283 63.3990 173.5745 111 H 4.9898 8.0751 118.2802 52.8807 30.0127 171.7443 112 P 4.4455 0.0000 0.0000 62.9883 31.3754 175.8849 113 V 4.0338 8.4126 123.2442 61.9872 32.7765 174.8494 114 V 4.0816 8.2629 127.3943 61.4808 34.1168 175.5945 115 V 4.2039 8.4736 125.2734 60.7906 33.7619 174.2009 116 E 4.1723 8.7482 128.8779 55.7122 30.2613 174.2066 117 P 4.7119 0.0000 0.0000 60.3618 33.6154 173.6054 118 P 4.5379 0.0000 0.0000 62.2606 32.4019 176.0022 119 E 4.2074 8.6353 121.7016 54.0229 26.7719 177.0911 120 G 5.2328 7.1818 123.5509 45.9670 0.0000 169.3791 121 I 4.7682 7.3932 119.7374 59.7963 41.2827 174.7901 122 T 4.6346 8.5854 121.8610 62.2061 70.9802 174.0630 123 F 4.6684 9.0580 124.9467 56.2535 39.2063 174.4755 124 E 4.3910 8.6641 123.2327 54.8187 31.1260 176.3703 125 V 4.5150 7.8897 121.8021 60.7556 31.8394 174.8899 126 P 4.5254 0.0000 0.0000 60.5650 29.6752 174.4611 127 E 4.9379 7.5641 116.6022 54.5186 29.9374 174.8888 128 P 4.8079 0.0000 0.0000 63.4480 32.4761 176.9702 129 T 4.6955 7.8311 108.0698 61.1572 70.0047 173.5985 130 R 5.0702 7.7469 120.5618 55.4636 33.3983 174.1780 131 V 4.6324 9.3030 124.0725 61.6059 35.6329 173.8250 132 R 5.0535 8.6514 123.3923 54.7918 34.9860 175.0308 133 V 4.7933 8.8751 122.4695 61.2992 33.4997 174.4425 134 S 4.1766 8.4772 124.8068 58.2181 63.9433 173.6609 135 G 4.3317 8.2449 110.1086 44.4362 0.0000 173.8859 136 I 3.8891 8.2493 125.1218 63.2802 38.4652 176.3796 137 D 4.9170 6.6310 120.5055 52.9197 38.9637 175.3914 138 K 4.1778 8.9606 123.2999 56.9376 39.4235 176.2644 139 Q 4.1855 7.8847 118.3377 58.8465 29.3183 178.2691 140 K 4.1417 8.2052 117.3901 57.4771 32.7747 177.2901 141 V 4.1539 8.1065 117.3812 65.5751 32.4504 177.6178 142 G 3.8235 8.0600 104.8096 48.0523 0.0000 174.2995 143 Q 4.0540 7.8478 121.9767 59.0401 29.0528 177.5734 144 V 3.9734 7.5227 117.2759 64.1204 31.4725 177.8910 145 A 3.7140 8.0577 120.5061 55.8235 18.3896 179.4924 146 A 4.0843 7.7509 119.9139 54.9679 18.3485 179.3036 147 N 4.1450 7.7800 113.6383 56.9776 38.7380 177.2514 148 I 3.8494 7.5504 120.7756 64.1177 37.1462 178.3417 149 R 3.8820 7.5618 114.5163 57.9559 29.3645 178.3415 150 A 3.9957 8.0926 121.9802 55.2335 18.4367 178.5284 151 I 3.6126 6.9533 115.3192 62.9856 36.9335 176.6585 152 R 4.3307 7.9889 119.4541 54.9730 32.6339 174.3983 153 K 4.1358 8.6509 123.4755 56.0141 32.4438 174.9075 154 P 3.9782 0.0000 0.0000 64.4824 31.6303 176.7887 155 S 3.8334 6.5667 114.5945 54.3806 65.5244 173.7748 156 A 5.3124 8.9752 132.3392 53.6995 20.4331 176.4165 157 Y 3.6715 9.2443 117.1873 59.2997 38.3675 169.6208 158 H 4.6186 7.7024 110.9230 54.8869 30.3597 173.8101 159 E 5.5670 7.2271 123.6466 56.4697 31.4099 181.6155 160 K 4.3117 8.3683 118.9741 56.1146 32.5456 176.6559 161 G 4.2745 9.4108 104.0798 46.4068 0.0000 173.1546 162 I 4.3675 7.4794 121.4652 61.3127 37.7965 175.2992 163 Y 4.7516 9.4223 123.8834 56.5636 41.3178 175.9042 164 Y 4.0295 9.4031 120.0039 58.5087 38.3786 177.6105 165 A 5.7437 7.7355 132.1470 52.8789 21.6265 178.2435 166 G 4.1546 7.9272 113.0476 46.2641 0.0000 175.2740 167 E 4.5025 8.5795 125.2903 54.1507 32.7693 172.9542 168 P 4.4023 0.0000 0.0000 62.5168 31.2337 176.9126 169 V 3.8911 8.9161 124.7633 61.7130 30.8763 177.5209 170 R 3.5387 7.9600 124.7367 59.3152 30.6439 176.9585 *171 L 4.1254 7.7316 122.7436 53.6850 41.6082 178.2286 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 12 P 0.00 4.35 0.00 2.06 2.09 0.00 3.71 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 1.92 2.11 0.00 13 K 7.80 3.73 0.00 2.01 1.83 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.44 7.81 14 G 9.31 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 15 V 7.05 4.48 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 0.78 0.00 0.00 1.03 0.00 0.00 16 S 9.32 4.28 0.00 3.97 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.26 3.90 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 0.79 0.00 0.00 0.99 0.00 0.00 18 E 7.76 3.78 0.00 2.27 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 2.35 2.30 0.00 19 V 8.11 4.22 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 0.86 0.00 0.00 1.06 0.00 0.00 20 A 7.92 4.52 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 21 P 0.00 3.94 0.00 2.04 2.05 0.00 3.63 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 22 G 7.96 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 R 7.50 4.85 0.00 1.69 1.97 0.00 3.32 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 24 V 8.20 4.99 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 0.63 0.00 0.00 0.96 0.00 0.00 25 K 8.25 4.44 0.00 1.88 1.87 0.00 1.19 0.00 0.00 2.61 0.00 0.00 2.67 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.38 7.81 26 V 8.46 4.08 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 1.10 0.00 0.00 1.00 0.00 0.00 27 K 8.63 4.78 0.00 1.74 1.75 0.00 1.82 0.00 0.00 1.89 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.53 7.81 28 G 8.04 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 0.00 0.00 0.00 0.00 29 P 0.00 4.20 0.00 2.19 2.19 0.00 3.68 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 30 K 8.41 4.14 0.00 1.79 1.89 0.00 1.89 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.72 1.62 7.81 31 G 6.78 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 0.00 0.00 0.00 0.00 32 E 7.86 5.11 0.00 2.00 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 0.00 2.27 2.18 0.00 33 L 8.13 4.71 0.00 1.58 1.48 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.92 4.34 0.00 1.84 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 2.25 2.24 0.00 35 V 7.99 4.40 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 0.83 0.00 0.00 0.93 0.00 0.00 36 P 0.00 4.62 0.00 2.11 2.05 0.00 3.81 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 1.99 1.98 0.00 37 V 8.25 4.44 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 0.77 0.00 0.00 1.01 0.00 0.00 38 S 8.68 4.08 0.00 3.89 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 39 P 0.00 4.51 0.00 2.08 2.05 0.00 3.71 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 2.03 2.11 0.00 40 E 8.72 4.48 0.00 1.80 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 2.25 2.36 0.00 41 M 9.10 3.08 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.57 0.00 42 R 7.79 3.73 0.00 1.93 1.96 0.00 3.17 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 43 V 7.86 4.54 2.42 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 0.78 0.00 0.00 0.93 0.00 0.00 44 V 7.94 4.65 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 0.76 0.00 0.00 0.93 0.00 0.00 45 V 8.19 4.06 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 0.88 0.00 0.00 0.95 0.00 0.00 46 E 8.13 3.77 0.00 2.11 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 2.28 2.26 0.00 47 E 8.78 3.73 0.00 2.19 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 2.26 2.29 0.00 48 G 8.55 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 0.00 0.00 0.00 0.00 49 V 7.15 4.16 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 0.62 0.00 0.00 0.93 0.00 0.00 50 V 8.15 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 0.83 0.00 0.00 0.93 0.00 0.00 51 R 8.39 4.71 0.00 1.77 1.77 0.00 3.21 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 52 V 7.97 4.35 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 0.79 0.00 0.00 0.88 0.00 0.00 53 E 8.79 4.23 0.00 1.98 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 2.32 2.63 0.00 54 R 8.39 5.26 0.00 2.05 2.18 0.00 3.20 0.00 0.00 3.30 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.39 0.00 55 P 0.00 4.65 0.00 2.24 1.30 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.89 0.00 56 S 9.11 4.32 0.00 4.00 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 57 D 8.24 4.75 0.00 2.68 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.46 4.64 0.00 1.82 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.16 0.00 59 R 8.49 4.22 0.00 1.76 1.92 0.00 3.18 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 60 R 7.76 4.57 0.00 1.77 1.93 0.00 3.22 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 61 H 8.03 4.76 0.00 3.32 3.31 0.00 5.66 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 62 K 8.40 3.87 0.00 1.80 1.90 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.57 7.81 63 S 8.03 4.52 0.00 3.88 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.36 4.68 0.00 1.81 1.63 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 65 H 7.84 4.59 0.00 3.22 3.27 0.00 5.73 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 66 G 7.93 4.22 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 0.00 67 L 7.94 4.07 0.00 1.60 1.72 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 68 T 7.91 4.57 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 69 R 7.42 4.09 0.00 2.00 1.96 0.00 3.34 0.00 0.00 3.69 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.53 0.00 70 T 7.05 4.39 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 71 L 8.72 3.79 0.00 2.12 1.70 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 72 I 7.34 3.91 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 1.57 0.74 0.91 0.00 0.00 73 A 7.61 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 74 N 8.14 4.38 0.00 2.90 2.88 0.00 0.00 7.01 7.34 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 75 A 7.52 4.09 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 76 V 7.82 3.71 2.35 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 0.86 0.00 0.00 1.00 0.00 0.00 77 K 8.46 4.28 0.00 1.87 1.88 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.69 7.81 78 G 7.91 3.44 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 0.00 0.00 0.00 0.00 79 V 8.36 4.08 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 0.97 0.00 0.00 1.04 0.00 0.00 80 S 7.40 4.28 0.00 3.88 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 81 E 8.54 3.88 0.00 2.09 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 2.30 2.32 0.00 82 G 8.33 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 83 Y 9.06 3.69 0.00 3.00 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 84 S 10.23 3.63 0.00 4.14 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 85 K 8.70 3.62 0.00 1.91 2.01 0.00 1.51 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.16 1.24 7.81 86 E 7.98 4.81 0.00 1.95 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 2.19 2.28 0.00 87 L 9.18 5.07 0.00 1.50 1.65 0.80 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.90 5.01 0.00 1.57 1.55 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.42 4.14 1.98 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 1.29 0.65 0.94 0.00 0.00 90 K 9.08 3.59 0.00 2.11 1.78 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.15 0.58 7.81 91 G 8.36 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 92 I 8.47 3.33 1.70 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 1.27 0.44 0.87 0.00 0.00 93 G 9.04 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 94 Y 7.43 5.38 0.00 3.09 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.10 4.82 0.00 2.01 2.05 0.00 2.78 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 96 A 8.59 5.71 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 97 R 8.80 4.72 0.00 1.70 0.99 0.00 3.54 0.00 0.00 3.14 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 98 L 8.09 5.54 0.00 1.71 1.68 1.16 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.94 4.09 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 0.79 0.00 0.00 0.91 0.00 0.00 100 G 8.49 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 0.00 101 R 8.42 4.27 0.00 1.75 1.90 0.00 3.14 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 102 A 8.14 4.22 0.91 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 0.00 103 L 7.75 4.99 0.00 1.84 1.89 1.02 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.57 5.01 0.00 1.99 1.78 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 2.22 2.25 0.00 105 L 9.86 4.95 0.00 1.45 1.36 0.85 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.47 4.97 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 1.20 0.00 0.00 107 V 7.74 3.46 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 0.00 0.00 -0.11 0.00 0.00 0.50 0.00 0.00 108 G 9.49 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 8.44 3.79 0.00 2.97 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 0.00 110 S 8.76 4.28 0.00 3.98 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 0.00 111 H 8.08 4.99 0.00 3.18 3.30 0.00 5.73 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.45 0.00 2.05 2.06 0.00 3.85 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 1.98 1.99 0.00 113 V 8.41 4.03 1.89 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 0.80 0.00 0.00 0.71 0.00 0.00 114 V 8.26 4.08 2.02 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 0.74 0.00 0.00 0.88 0.00 0.00 115 V 8.47 4.20 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 0.94 0.00 0.00 0.91 0.00 0.00 116 E 8.75 4.17 0.00 1.93 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 2.18 2.23 0.00 117 P 0.00 4.71 0.00 2.21 1.51 0.00 3.63 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.84 0.00 118 P 0.00 4.54 0.00 2.28 2.26 0.00 4.12 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.03 0.00 119 E 8.64 4.21 0.00 1.95 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 2.29 2.30 0.00 120 G 7.18 5.23 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 0.00 121 I 7.39 4.77 1.90 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 1.18 0.70 0.80 0.00 0.00 122 T 8.59 4.63 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 123 F 9.06 4.67 0.00 2.86 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.66 4.39 0.00 1.92 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 125 V 7.89 4.52 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 1.06 0.00 0.00 1.00 0.00 0.00 126 P 0.00 4.53 0.00 2.23 2.10 0.00 3.90 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 127 E 7.56 4.94 0.00 2.07 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 0.00 2.13 2.09 0.00 128 P 0.00 4.81 0.00 2.23 2.31 0.00 3.83 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 2.04 1.91 0.00 129 T 7.83 4.70 4.27 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 1.29 0.00 0.00 130 R 7.75 5.07 0.00 1.79 1.78 0.00 3.21 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 131 V 9.30 4.63 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 0.89 0.00 0.00 0.94 0.00 0.00 132 R 8.65 5.05 0.00 1.77 1.72 0.00 3.18 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 133 V 8.88 4.79 1.71 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 -0.04 0.00 0.00 0.33 0.00 0.00 134 S 8.48 4.18 0.00 3.20 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 0.00 135 G 8.24 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 0.00 136 I 8.25 3.89 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.61 0.91 0.00 0.00 137 D 6.63 4.92 0.00 2.51 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 0.00 0.00 0.00 138 K 8.96 4.18 0.00 1.77 1.52 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.25 1.32 7.81 139 Q 7.88 4.19 0.00 2.32 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.24 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 140 K 8.21 4.14 0.00 1.78 2.02 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.42 7.81 141 V 8.11 4.15 2.26 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 0.92 0.00 0.00 0.88 0.00 0.00 142 G 8.06 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 Q 7.85 4.05 0.00 2.37 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 144 V 7.52 3.97 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 1.04 0.00 0.00 1.03 0.00 0.00 145 A 8.06 3.71 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 0.00 146 A 7.75 4.08 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 0.00 147 N 7.78 4.15 0.00 2.79 2.95 0.00 0.00 7.16 7.55 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 0.00 148 I 7.55 3.85 1.88 0.00 0.00 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 1.86 0.93 0.87 0.00 0.00 149 R 7.56 3.88 0.00 2.04 2.00 0.00 3.05 0.00 0.00 3.50 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.68 0.00 150 A 8.09 4.00 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 0.00 151 I 6.95 3.61 1.67 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 1.42 0.74 0.58 0.00 0.00 152 R 7.99 4.33 0.00 1.71 1.83 0.00 3.43 0.00 0.00 3.35 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.47 0.00 153 K 8.65 4.14 0.00 1.85 1.84 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.40 7.81 154 P 0.00 3.98 0.00 1.55 0.96 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.63 0.00 155 S 6.57 3.83 0.00 3.83 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 0.00 156 A 8.98 5.31 1.40 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 0.00 157 Y 9.24 3.67 0.00 3.06 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 0.00 158 H 7.70 4.62 0.00 3.34 3.74 0.00 5.86 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 E 7.23 5.57 0.00 2.19 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 2.09 2.04 0.00 160 K 8.37 4.31 0.00 1.96 1.47 0.00 1.75 0.00 0.00 1.09 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.20 1.39 7.81 161 G 9.41 4.27 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 0.00 162 I 7.48 4.37 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.56 0.96 0.00 0.00 163 Y 9.42 4.75 0.00 2.83 2.92 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 0.00 164 Y 9.40 4.03 0.00 2.93 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 A 7.74 5.74 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 0.00 166 G 7.93 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 0.00 0.00 0.00 0.00 167 E 8.58 4.50 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 168 P 0.00 4.40 0.00 2.43 2.60 0.00 3.83 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 169 V 8.92 3.89 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 0.84 0.00 0.00 0.99 0.00 0.00 170 R 7.96 3.54 0.00 1.96 1.99 0.00 3.24 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 *171 L 7.73 4.13 0.00 1.43 1.52 0.92 0.72 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 * Residues marked with a * may have inaccurate shift predictions.