NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8039 8.3044 120.3665 55.4426 33.6419 174.3243 2 K 4.5364 9.0426 126.1158 54.5744 35.9385 173.5000 3 L 4.7935 8.8203 127.2695 54.5800 43.0192 174.8769 4 E 4.7257 9.4562 122.5574 57.5644 32.2363 175.6782 5 R 5.2675 7.9344 118.2184 55.0529 33.9025 173.5344 6 V 5.0365 8.9754 125.3600 60.2319 34.6872 174.4041 7 T 5.1046 8.9181 120.6934 61.7265 71.8351 173.1066 8 V 4.8832 9.1615 126.0206 61.1146 34.9008 174.1899 9 K 5.0735 9.1208 127.0298 53.8475 35.8074 176.0949 10 N 4.2508 9.0959 122.4826 54.9344 37.3688 173.7611 11 F 4.9766 8.1257 119.1272 56.7999 42.0639 174.5991 12 R 3.2738 8.0921 129.7440 57.6169 28.7149 178.5465 13 S 4.1719 8.4517 120.3504 60.4678 63.3810 173.9106 14 H 4.5289 8.2261 120.5813 55.4831 27.9440 175.7406 15 S 4.2017 8.6790 120.5464 60.8530 64.5891 173.6093 16 D 5.0259 7.9423 120.0569 53.2683 42.2733 173.0056 17 T 4.7386 9.2230 120.7082 61.2129 71.4396 173.3460 18 V 4.8466 8.3227 124.7830 61.1243 34.6727 174.4903 19 V 4.2161 8.8275 127.4749 61.0427 34.4017 173.6661 20 E 4.8330 8.5574 127.3201 54.8784 30.7991 175.3346 21 F 5.0508 8.8715 124.0382 56.2160 40.9000 175.4892 22 K 4.7749 9.1533 121.3789 54.2770 35.6299 175.5914 23 E 4.0913 8.5414 119.7726 57.5879 30.3327 178.2893 24 G 3.7524 8.4765 110.3733 44.7057 0.0000 172.4968 25 I 3.9345 8.2289 121.6507 60.8456 37.0125 175.3677 26 N 4.7784 8.6708 124.3110 51.4371 38.8499 174.1809 27 L 4.3769 8.3838 125.8057 53.6540 43.1147 175.7884 28 I 4.3839 8.3594 126.8094 59.8386 38.1947 174.8369 29 I 4.4480 8.1710 126.2245 59.0714 38.9585 175.8452 30 G 4.1658 7.8321 113.9176 45.6491 0.0000 172.1184 31 Q 4.4700 7.6790 118.0549 53.9881 30.3316 174.8700 32 N 4.2432 8.6311 116.5880 55.3631 38.8369 174.9517 33 G 4.1097 9.1055 111.1854 45.5610 0.0000 174.7872 34 S 4.1069 8.1887 114.7581 61.7490 63.0599 175.3272 35 G 4.0744 8.4602 106.7600 44.8334 0.0000 175.4046 36 K 4.0863 8.5457 121.4535 59.8650 32.5581 179.2797 37 S 4.1910 8.0434 114.1605 61.2748 62.4609 176.1033 38 S 4.4043 8.1225 116.1722 60.8170 62.8723 175.9590 39 L 3.9863 8.1005 124.6697 58.2471 41.8750 178.8857 40 L 4.0226 7.7754 118.2623 57.9416 41.4620 179.2478 41 D 4.5631 8.2448 118.2215 57.3511 40.7328 178.7022 42 A 3.7279 8.5637 121.7932 55.0641 18.2802 179.7589 43 I 3.6555 7.8699 118.4487 64.4173 37.1470 178.6438 44 L 4.0341 8.0540 119.9197 57.7527 41.4752 179.7548 45 V 3.8757 8.1704 118.5403 65.8470 31.2444 178.0546 46 G 3.6093 8.0801 104.7261 48.0657 0.0000 175.2538 47 L 3.7513 7.5702 120.3732 56.2257 41.6039 177.6835 48 Y 4.7533 7.6533 113.1585 57.0709 38.6219 175.6992 49 W 4.2532 8.0623 130.7331 56.7894 31.2979 173.6872 50 P 2.9700 0.0000 0.0000 61.2963 31.7092 175.1051 51 L 4.1106 6.3929 120.0865 54.2945 43.0582 175.8746 52 R 4.1136 8.0951 119.8413 55.4817 28.4258 174.3077 53 I 4.6581 7.9428 123.3100 58.7564 40.3028 176.0091 54 K 4.2829 8.6702 124.6055 57.7934 33.4446 176.5426 55 D 4.7233 8.8164 117.2313 55.1802 38.0310 175.3558 56 I 3.7513 7.8670 120.4836 62.9390 37.7124 176.1936 57 K 4.4168 7.7727 119.9969 54.8391 32.5291 176.0354 58 K 4.7596 8.3531 122.4329 54.6156 35.8967 175.4593 59 D 4.7746 8.4944 120.2015 52.8086 42.6859 175.5684 60 E 4.6049 8.1068 121.8766 54.5383 31.3936 175.6519 61 F 4.7841 8.6264 122.2210 57.5030 41.1711 174.6419 62 T 4.6388 7.4405 112.8091 60.8506 70.0959 173.3266 63 K 4.1456 8.5395 124.3159 58.2600 32.6283 177.6522 64 V 3.8513 7.5499 119.9107 63.8752 31.5868 176.4501 65 G 3.8295 8.9868 114.3827 45.4628 0.0000 173.0555 66 A 4.1098 7.7345 123.2261 52.4243 18.2491 177.2517 67 R 4.7084 8.0350 120.1774 55.1216 34.3022 175.0010 68 D 4.7587 8.4465 120.1120 54.8431 42.0652 175.8416 69 T 4.7024 8.7562 118.5464 62.8950 70.3790 173.3463 70 Y 5.2232 9.1881 127.0332 55.9084 42.5763 173.9889 71 I 4.8630 8.2500 126.3170 59.4876 41.4193 173.5939 72 D 5.0121 8.9042 126.7638 52.1079 44.1552 174.1020 73 L 5.2141 9.0096 127.6236 53.3547 45.4891 174.7682 74 I 5.0683 8.9864 127.4551 59.6145 40.0169 174.7726 75 F 5.5641 8.8343 120.6663 55.8863 42.0837 172.4402 76 E 5.2369 9.8163 119.3023 54.5806 33.5922 174.3212 77 K 4.7607 9.2811 126.4786 55.7484 36.0350 175.6918 78 D 4.7375 10.0559 128.3578 55.5333 38.3273 174.8517 79 G 3.9875 8.6443 106.2042 45.5173 0.0000 173.8328 80 T 4.3440 7.6245 116.6285 61.3638 70.6152 172.9689 81 K 4.7359 8.0635 127.0737 55.4946 33.9359 174.7344 82 Y 5.3353 8.8163 124.7308 56.2556 41.9299 174.7528 83 R 4.8271 8.9856 121.6819 54.8438 33.5766 173.6118 84 I 4.9380 8.7938 127.3999 59.7889 40.2081 174.6962 85 T 4.7881 8.7393 123.2491 61.6597 71.8561 173.2400 86 R 4.7690 8.7130 124.8618 54.1466 34.2763 174.3985 87 R 4.7763 8.3660 123.1247 54.4811 33.7247 173.6570 88 F 4.8196 9.2742 125.5454 55.5707 41.1875 174.7011 89 L 4.4862 8.6687 127.9265 53.7801 41.9509 179.6027 90 K 4.3582 8.2799 129.5856 54.0181 31.0327 173.2434 *95 G 3.9568 7.5666 108.5725 46.5760 0.0000 172.1820 96 E 5.1659 8.5822 119.4894 54.3363 34.0868 175.0073 97 I 4.5406 8.2507 122.2536 59.8994 40.8686 174.3306 98 H 5.2854 8.7453 122.5842 54.0083 32.5646 172.7015 99 A 4.7579 8.8452 123.3089 50.4741 23.0776 174.4970 100 M 5.0572 8.6264 120.2129 53.7624 35.4940 174.3076 101 K 5.3776 9.3790 124.8757 54.5462 37.1503 175.1420 102 R 5.1060 9.0640 117.9390 54.2020 32.8071 174.5082 103 L 3.8588 8.2662 124.4550 54.5382 42.6164 176.3797 104 V 4.1081 8.5130 127.6128 61.6841 33.9336 175.4343 105 G 3.7004 8.2743 121.0140 47.8980 0.0000 174.2493 106 N 4.6641 8.8182 121.4034 51.4965 38.3200 173.3199 107 E 4.7591 7.7416 118.2736 55.2176 32.5230 175.2118 108 W 4.8463 8.6216 123.3578 56.1935 30.2439 175.9055 109 K 4.7286 9.2949 124.0048 54.3460 35.5732 175.5088 110 H 4.5873 8.9627 120.8976 56.8535 28.5310 175.9594 111 V 3.8198 8.5369 116.2260 63.1239 32.0069 175.3643 112 T 4.3693 7.1277 111.6213 60.6114 69.9544 171.8481 113 E 3.9455 8.6178 123.7427 55.8986 29.8627 175.9639 114 P 4.6553 0.0000 0.0000 61.8257 29.8797 175.7098 115 S 4.7004 7.6175 120.4840 56.4066 67.7584 174.7333 116 S 3.9512 8.6021 117.3521 61.3904 62.1843 176.4552 117 K 3.8871 8.0033 121.4999 59.5243 32.1038 178.4878 118 A 4.0310 7.9398 120.9865 55.3072 18.2295 179.7212 119 I 3.7467 7.8145 118.4219 64.4982 37.1383 178.6408 120 S 4.0979 8.3216 113.8880 61.2765 62.2551 176.0784 121 A 4.0211 8.1219 123.6019 55.0149 18.0302 179.4213 122 F 4.1007 8.4179 119.1492 61.8219 39.5258 177.3123 123 M 4.1070 8.5594 118.6093 58.5079 31.5127 178.6217 124 E 4.0957 8.1394 117.7562 58.7993 29.5871 179.0562 125 K 4.1326 7.1948 116.5589 58.6218 32.5394 178.6638 126 L 4.2033 7.6014 119.6822 56.7827 42.7106 177.7625 127 I 4.4260 7.6951 122.8280 57.6829 39.1129 172.4696 128 P 4.5917 0.0000 0.0000 62.6782 33.0262 176.0074 129 Y 3.2655 8.4082 121.7104 61.0351 38.5289 178.8411 130 N 4.1023 8.0366 117.0900 55.9145 37.5002 177.1913 131 I 3.6923 7.5727 121.7243 63.8822 37.2725 177.9506 132 F 4.0461 8.3177 121.6010 61.4337 39.1075 177.2441 133 L 4.1468 7.7615 117.0647 56.9340 41.5066 178.2568 134 N 4.5912 8.0925 114.4224 53.5778 39.1298 175.5727 135 A 4.5939 7.9879 120.5255 51.6299 21.3109 176.5437 136 I 3.9896 7.7437 114.0455 62.4682 38.7958 175.1318 137 Y 4.4976 7.7629 122.3191 55.8235 39.0289 175.4124 138 I 3.9947 8.2305 129.5353 59.7441 36.6761 176.0993 139 R 3.8162 7.5430 124.5984 55.0580 30.7176 176.3907 140 Q 4.1151 8.3574 120.8960 58.0047 29.4556 177.2158 141 G 4.0932 8.9245 112.5725 45.8956 0.0000 175.2610 142 Q 3.9627 7.9355 119.1304 58.7623 28.3550 178.4570 143 I 3.7278 7.6070 119.9651 64.2728 37.3587 177.6991 144 D 4.4521 8.0198 119.0531 57.3537 40.9050 178.3087 145 A 3.9862 8.0824 121.2627 55.4812 18.0942 179.7872 146 I 3.7165 7.5021 116.9462 64.0211 37.2259 177.6916 147 L 4.3756 7.3685 116.6918 53.4985 41.9787 176.6105 148 E 3.9668 7.3213 120.6331 56.8610 30.0445 176.9233 149 S 4.2317 8.4067 120.6784 58.8623 63.9861 173.7253 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 4.80 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.66 0.00 2 K 9.04 4.54 0.00 1.90 1.68 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.55 7.81 3 L 8.82 4.79 0.00 1.23 1.52 0.50 0.83 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 4 E 9.46 4.73 0.00 2.15 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 0.00 2.30 2.32 0.00 5 R 7.93 5.27 0.00 2.08 1.77 0.00 3.20 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 6 V 8.98 5.04 2.30 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 0.97 0.00 0.00 0.96 0.00 0.00 7 T 8.92 5.10 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 1.43 0.00 0.00 8 V 9.16 4.88 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 1.23 0.00 0.00 0.93 0.00 0.00 9 K 9.12 5.07 0.00 1.81 1.70 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.35 7.81 10 N 9.10 4.25 0.00 2.90 3.09 0.00 0.00 6.84 7.02 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 11 F 8.13 4.98 0.00 3.01 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 12 R 8.09 3.27 0.00 1.40 1.04 0.00 2.71 0.00 0.00 3.01 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.50 0.00 13 S 8.45 4.17 0.00 3.89 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 14 H 8.23 4.53 0.00 3.49 3.40 0.00 5.61 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.68 4.20 0.00 3.91 4.12 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 0.00 0.00 0.00 16 D 7.94 5.03 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.22 4.74 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 1.24 0.00 0.00 18 V 8.32 4.85 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 0.76 0.00 0.00 0.95 0.00 0.00 19 V 8.83 4.22 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 0.10 0.00 0.00 0.84 0.00 0.00 20 E 8.56 4.83 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 2.17 2.23 0.00 21 F 8.87 5.05 0.00 3.18 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 22 K 9.15 4.77 0.00 1.73 1.77 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.38 7.81 23 E 8.54 4.09 0.00 1.97 1.88 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 2.32 2.34 0.00 24 G 8.48 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 25 I 8.23 3.93 1.90 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 1.43 0.60 0.94 0.00 0.00 26 N 8.67 4.78 0.00 2.85 2.95 0.00 0.00 7.07 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 27 L 8.38 4.38 0.00 1.61 1.60 0.95 1.06 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 28 I 8.36 4.38 1.95 0.00 0.00 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 1.51 0.90 0.97 0.00 0.00 29 I 8.17 4.45 1.89 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 1.37 0.56 0.93 0.00 0.00 30 G 7.83 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 7.68 4.47 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 32 N 8.63 4.24 0.00 2.73 2.87 0.00 0.00 7.22 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 33 G 9.11 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.19 4.11 0.00 3.97 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 0.00 35 G 8.46 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 36 K 8.55 4.09 0.00 2.08 2.13 0.00 1.36 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.50 7.81 37 S 8.04 4.19 0.00 3.97 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 38 S 8.12 4.40 0.00 4.02 4.04 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 39 L 8.10 3.99 0.00 2.01 2.02 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.78 4.02 0.00 2.10 1.77 0.91 1.17 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 41 D 8.24 4.56 0.00 3.21 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 42 A 8.56 3.73 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 43 I 7.87 3.66 2.01 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 1.55 0.73 0.80 0.00 0.00 44 L 8.05 4.03 0.00 2.08 1.92 1.28 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.17 3.88 2.04 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 0.80 0.00 0.00 0.97 0.00 0.00 46 G 8.08 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.57 3.75 0.00 0.50 0.13 -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 7.65 4.75 0.00 2.97 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.06 4.25 0.00 3.61 3.05 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 50 P 0.00 2.97 0.00 1.49 1.20 0.00 3.65 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 51 L 6.39 4.11 0.00 1.47 1.30 0.88 0.75 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 52 R 8.10 4.11 0.00 1.74 1.90 0.00 3.17 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 53 I 7.94 4.66 2.11 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 1.61 1.22 1.12 0.00 0.00 54 K 8.67 4.28 0.00 1.93 1.88 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.52 7.81 55 D 8.82 4.72 0.00 2.94 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 56 I 7.87 3.75 1.59 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.40 -1.21 0.00 0.00 57 K 7.77 4.42 0.00 1.82 1.84 0.00 1.89 0.00 0.00 2.15 0.00 0.00 3.39 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.52 7.81 58 K 8.35 4.76 0.00 1.72 1.71 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.21 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.45 7.81 59 D 8.49 4.77 0.00 2.68 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.11 4.60 0.00 1.83 1.68 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 2.13 2.40 0.00 61 F 8.63 4.78 0.00 3.06 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 62 T 7.44 4.64 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 1.32 0.00 0.00 63 K 8.54 4.15 0.00 1.87 1.84 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.53 1.43 7.81 64 V 7.55 3.85 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 0.75 0.00 0.00 0.94 0.00 0.00 65 G 8.99 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 66 A 7.73 4.11 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 67 R 8.03 4.71 0.00 1.94 1.80 0.00 3.23 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.80 0.00 68 D 8.45 4.76 0.00 2.59 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 69 T 8.76 4.70 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 1.21 0.00 0.00 70 Y 9.19 5.22 0.00 2.98 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 71 I 8.25 4.86 1.68 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.42 0.80 0.00 0.00 72 D 8.90 5.01 0.00 2.32 2.40 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 73 L 9.01 5.21 0.00 1.70 1.46 1.07 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 74 I 8.99 5.07 1.97 0.00 0.00 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 1.12 0.52 1.17 0.00 0.00 75 F 8.83 5.56 0.00 3.30 3.15 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 76 E 9.82 5.24 0.00 2.06 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 0.00 2.27 2.36 0.00 77 K 9.28 4.76 0.00 2.18 1.92 0.00 1.99 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.58 7.81 78 D 10.06 4.74 0.00 2.95 2.78 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 79 G 8.64 3.99 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 0.00 0.00 0.00 80 T 7.62 4.34 4.09 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 0.51 0.00 0.00 81 K 8.06 4.74 0.00 1.73 1.46 0.00 1.51 0.00 0.00 2.13 0.00 0.00 2.95 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.67 1.53 7.81 82 Y 8.82 5.34 0.00 1.43 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.99 4.83 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.16 0.00 84 I 8.79 4.94 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.79 0.93 0.00 0.00 85 T 8.74 4.79 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 1.01 0.00 0.00 86 R 8.71 4.77 0.00 1.44 1.18 0.00 3.05 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.40 0.00 87 R 8.37 4.78 0.00 1.73 1.53 0.00 3.01 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.66 0.00 88 F 9.27 4.82 0.00 2.88 2.84 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 89 L 8.67 4.49 0.00 1.59 1.61 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.28 4.36 0.00 1.78 1.65 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.00 7.81 *95 G 7.57 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 0.00 0.00 0.00 96 E 8.58 5.17 0.00 1.79 1.45 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 2.26 2.40 0.00 97 I 8.25 4.54 1.69 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 1.15 0.68 0.82 0.00 0.00 98 H 8.75 5.29 0.00 2.92 3.09 0.00 5.65 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.85 4.76 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 0.00 100 M 8.63 5.06 0.00 1.96 1.84 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 101 K 9.38 5.38 0.00 1.67 2.01 0.00 1.55 0.00 0.00 1.77 0.00 0.00 2.40 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.21 1.22 7.81 102 R 9.06 5.11 0.00 1.43 1.85 0.00 2.72 0.00 0.00 3.01 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.46 0.00 103 L 8.27 3.86 0.00 0.27 1.04 -0.17 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 104 V 8.51 4.11 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 0.86 0.00 0.00 0.85 0.00 0.00 105 G 8.27 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 0.00 106 N 8.82 4.66 0.00 2.74 2.70 0.00 0.00 6.38 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 0.00 107 E 7.74 4.76 0.00 1.84 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 2.20 2.20 0.00 108 W 8.62 4.85 0.00 3.14 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 0.00 109 K 9.29 4.73 0.00 1.62 1.66 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.36 7.81 110 H 8.96 4.59 0.00 3.03 3.40 0.00 5.69 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.54 3.82 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 0.71 0.00 0.00 0.16 0.00 0.00 112 T 7.13 4.37 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 1.10 0.00 0.00 113 E 8.62 3.95 0.00 1.95 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 2.28 2.29 0.00 114 P 0.00 4.66 0.00 2.26 2.06 0.00 3.69 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.81 0.00 115 S 7.62 4.70 0.00 4.01 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 0.00 116 S 8.60 3.95 0.00 3.79 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 0.00 117 K 8.00 3.89 0.00 1.90 1.79 0.00 1.65 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.57 7.81 118 A 7.94 4.03 1.45 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 0.00 0.00 0.00 119 I 7.81 3.75 1.96 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 1.38 0.73 0.93 0.00 0.00 120 S 8.32 4.10 0.00 3.96 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 0.00 121 A 8.12 4.02 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 0.00 122 F 8.42 4.10 0.00 3.29 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 0.00 123 M 8.56 4.11 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.90 0.00 124 E 8.14 4.10 0.00 2.13 2.04 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 2.52 2.51 0.00 125 K 7.19 4.13 0.00 1.65 1.67 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.49 7.81 126 L 7.60 4.20 0.00 1.19 1.57 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 127 I 7.70 4.43 1.96 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.95 0.92 0.00 0.00 128 P 0.00 4.59 0.00 2.58 2.38 0.00 3.83 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 2.10 2.04 0.00 129 Y 8.41 3.27 0.00 2.48 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 0.00 130 N 8.04 4.10 0.00 2.87 2.99 0.00 0.00 6.25 7.74 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 0.00 131 I 7.57 3.69 2.07 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 1.53 1.17 0.94 0.00 0.00 132 F 8.32 4.05 0.00 3.25 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 0.00 133 L 7.76 4.15 0.00 1.30 1.45 0.43 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 134 N 8.09 4.59 0.00 2.73 2.79 0.00 0.00 6.72 6.86 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 0.00 135 A 7.99 4.59 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 0.00 136 I 7.74 3.99 1.32 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.58 0.44 0.00 0.00 137 Y 7.76 4.50 0.00 2.08 2.61 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 0.00 0.00 0.00 0.00 138 I 8.23 3.99 1.87 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 1.35 0.66 0.86 0.00 0.00 139 R 7.54 3.82 0.00 1.58 1.63 0.00 2.97 0.00 0.00 3.02 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.50 0.00 140 Q 8.36 4.12 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.66 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 141 G 8.92 4.09 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 0.00 142 Q 7.94 3.96 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 143 I 7.61 3.73 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 1.62 0.44 0.90 0.00 0.00 144 D 8.02 4.45 0.00 2.80 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 0.00 145 A 8.08 3.99 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 0.00 146 I 7.50 3.72 2.02 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 1.49 0.64 0.89 0.00 0.00 147 L 7.37 4.38 0.00 1.64 1.69 0.91 0.66 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 0.00 148 E 7.32 3.97 0.00 2.03 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 0.00 2.32 2.29 0.00 149 S 8.41 4.23 0.00 3.82 3.66 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 * Residues marked with a * may have inaccurate shift predictions.