NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.3493 8.1233 123.5852 52.0423 21.1761 178.5711 10 N 4.0281 8.2591 112.0104 56.4137 38.6417 175.8351 11 S 3.9093 8.9163 117.2467 61.9320 63.1308 176.5906 12 T 3.8929 7.9354 118.4386 66.5044 68.1006 177.0028 13 V 3.4241 7.5222 119.5657 65.9676 31.7277 177.9052 14 L 3.7927 8.5710 119.5497 57.6553 41.2254 179.5513 15 S 4.1016 8.1976 113.1135 61.2662 62.1768 175.7539 16 F 4.4002 7.7192 121.9561 61.8912 39.4479 176.6472 17 C 3.9071 8.3175 116.0935 62.4563 27.6542 175.6960 18 A 3.7565 7.9832 121.7810 54.9172 17.9351 178.8350 19 F 4.6087 7.3116 112.2887 56.5814 38.3363 176.2201 20 A 4.2344 7.1284 123.0226 51.5449 18.9237 179.6055 21 V 3.8026 8.2135 113.5235 63.8084 32.0124 176.9221 22 D 4.5814 7.5454 117.9807 50.6395 42.3595 173.2256 23 P 4.2127 0.0000 0.0000 65.4797 31.4113 177.6176 24 A 3.9560 8.0951 118.6593 55.1536 18.3387 179.1177 25 K 3.7600 8.1668 117.3554 59.6991 32.1188 178.8081 26 A 3.9976 8.1377 120.8110 55.3852 18.2046 179.0140 27 Y 4.3924 8.1397 118.1072 60.6872 38.8557 177.9070 28 K 3.7031 8.4288 120.9228 59.6029 32.1884 178.3468 29 D 4.3410 8.3555 119.0805 57.5680 40.7387 177.8045 30 Y 4.2579 8.4368 120.2233 61.0768 38.7449 178.3805 31 L 3.5779 8.0742 119.4036 57.6992 41.4908 179.3271 32 A 3.9758 8.0513 119.7340 55.3040 18.3962 179.2216 33 S 4.2916 8.0181 110.8892 59.3194 62.9570 175.2616 34 G 3.8239 8.2528 111.0705 44.7032 0.0000 174.3076 35 G 2.4695 7.0593 108.3830 44.8736 0.0000 173.4634 36 Q 4.1405 8.3736 122.9668 54.4792 29.7960 174.2018 37 P 4.6504 0.0000 0.0000 62.6630 32.0109 176.2336 38 I 3.9488 8.3990 123.1580 62.2310 37.6112 175.7760 39 T 4.7331 8.8019 114.8138 61.0232 71.1323 173.1895 40 N 4.2429 8.6464 115.6029 55.0373 35.6318 173.9396 41 C 4.5613 8.1631 115.4614 58.4782 29.6717 174.4379 42 V 3.9450 8.1269 117.6089 61.5865 32.3628 175.3522 43 K 4.7390 8.5377 122.4636 54.8612 34.8956 175.2995 44 M 4.3369 8.6116 123.8553 53.3447 33.1056 177.3526 45 L 4.2016 7.9856 128.0054 53.9222 41.0394 175.6161 46 C 4.3980 7.3127 115.3759 57.6560 32.2062 175.1641 47 T 4.2427 8.4763 111.6807 63.8515 67.0851 174.9933 48 H 4.2362 6.8109 123.3231 57.0511 26.8193 175.5319 49 T 4.6067 8.5019 106.0160 61.8273 71.1890 176.9438 50 G 3.9037 7.8848 111.8913 46.2248 0.0000 173.4906 51 T 4.0921 8.3659 108.9556 61.6935 69.3140 175.9364 52 G 3.9547 8.4228 110.7143 45.5408 0.0000 173.9939 53 Q 4.0635 7.5373 118.3246 55.9526 29.5089 176.5366 54 A 3.9354 9.1722 124.7142 54.6561 19.0163 177.3556 55 I 5.0396 7.4342 114.5670 59.7908 40.1890 174.7818 56 T 4.8537 9.0823 116.5628 59.9511 72.4368 175.2223 57 V 4.2059 8.6608 114.0629 63.1097 32.0672 176.4516 58 T 4.4093 7.5585 108.1294 58.9087 71.4424 171.6552 59 P 4.1271 0.0000 0.0000 63.7713 31.6997 176.2557 60 E 4.6544 9.8049 120.8617 55.7811 31.6609 175.1630 61 A 4.4307 7.7941 122.6222 52.4991 19.1484 178.3188 62 N 5.0815 8.9909 120.3871 51.4601 39.9479 175.3319 63 M 4.0724 8.6665 116.4380 58.5733 32.2220 176.9299 64 D 4.9065 9.2107 117.9612 53.9657 41.1822 175.3358 65 Q 5.2085 7.8682 117.3878 54.5793 33.4968 173.9678 66 E 4.6907 9.1886 118.9087 54.7810 33.5419 175.4662 67 S 5.2543 8.4515 118.8197 57.1176 65.1362 173.3150 68 F 5.2951 9.5282 123.6377 55.2331 42.9153 174.9851 69 G 3.9259 8.8966 108.2948 46.2269 0.0000 174.5893 70 G 4.0773 8.9792 113.8746 48.2915 0.0000 175.1962 71 A 4.0146 8.0470 123.3404 54.4442 18.1654 179.0322 72 S 4.0615 8.1098 110.8086 60.2330 63.5897 174.6005 73 C 4.3954 8.1533 120.4145 60.7313 30.0700 172.4321 74 C 4.3615 7.5801 120.0119 56.6738 40.4383 173.6444 75 L 3.5534 8.3969 130.6279 58.4914 41.6754 178.3851 76 Y 3.9984 7.4545 116.0289 61.0477 37.9296 178.8779 77 C 4.3294 8.0647 116.9952 60.2043 40.2131 176.2292 78 R 3.7124 8.1240 118.6529 59.1542 29.7273 178.1529 79 C 4.1281 8.0648 113.8790 59.2683 29.0485 172.9527 80 H 4.1210 7.7969 117.2407 56.9368 26.2562 173.5241 81 I 4.7140 7.5851 109.9133 58.6255 40.9943 174.6520 82 D 4.5630 8.5269 120.5105 54.7941 41.2515 175.4621 83 H 4.4460 7.9561 117.0762 53.0585 31.8511 172.1609 84 P 3.9562 0.0000 0.0000 61.3521 32.2935 180.1490 85 N 3.8182 8.6549 115.9710 53.6130 38.4742 177.3170 *89 F 4.1608 8.9746 119.6440 59.4632 40.5157 176.5354 90 C 3.8540 7.6965 121.3274 60.2914 28.2189 174.6474 91 D 4.8719 8.2577 126.2849 52.9587 38.7935 178.0088 92 L 4.4569 8.4059 122.3130 56.7159 43.4247 177.3301 93 K 3.8953 7.9628 118.9555 58.2406 32.1606 176.6035 94 G 3.8567 9.0015 114.6196 44.8846 0.0000 172.1762 95 K 4.6200 7.9416 119.1238 54.6107 36.0067 174.1146 96 Y 5.1917 9.0596 117.5217 56.6744 41.6459 175.0829 97 V 4.8166 9.0873 124.5803 61.5140 33.7297 174.6511 98 Q 5.0240 9.1923 128.3310 55.3159 28.9396 175.2111 99 I 3.9219 8.8859 126.4382 58.7462 39.4532 174.2930 100 P 4.5297 0.0000 0.0000 62.8713 31.9711 177.0303 101 T 3.8879 8.8240 121.2181 67.1009 68.5294 176.4090 102 T 3.8621 8.0085 109.0371 64.1613 68.8685 174.2242 103 C 4.6189 8.2852 118.3968 59.2264 28.6304 175.1635 104 A 4.1900 8.0118 124.2327 54.1040 17.9683 178.9132 105 N 4.5580 7.9872 112.3407 54.5633 38.5310 174.9167 106 D 4.8260 7.8210 117.8992 50.9823 41.2480 173.3372 107 P 3.8859 0.0000 0.0000 65.6466 31.9744 178.1315 108 V 4.1197 7.2568 117.5794 65.5937 31.2466 178.2767 109 G 4.0801 8.3878 105.8854 46.9445 0.0000 175.0947 110 F 3.7692 8.2834 123.4512 61.5169 39.1639 177.3537 111 T 3.5450 7.3891 107.8918 64.5638 68.4454 176.0289 112 L 4.1290 7.1799 119.7648 57.8638 41.8677 179.5192 113 R 4.0145 7.8669 115.7479 56.9886 30.2290 176.3050 114 N 4.9697 6.8191 115.0689 51.3958 41.5275 173.6319 115 T 4.8811 8.3114 115.9196 61.9474 71.8035 173.3489 116 V 4.1075 8.3186 125.4091 61.5110 32.8802 175.0582 117 C 4.3328 8.8746 129.4989 59.7258 31.7788 174.7283 118 T 3.8512 8.6725 116.6622 64.4773 69.0237 176.1521 119 V 3.7170 7.8922 121.3762 65.5227 30.3429 176.3748 120 C 4.3404 8.0310 112.5540 57.4568 30.6939 174.8859 121 G 3.7180 8.3804 109.1516 46.2030 0.0000 172.8559 122 M 4.7976 7.0116 117.5762 52.2826 34.8134 175.5879 123 W 4.7969 8.4071 120.7936 56.6924 29.7953 175.8694 124 K 4.2873 9.0469 125.5057 57.9398 31.9545 176.6998 125 G 3.9980 9.6077 115.0693 45.4652 0.0000 172.7414 126 Y 4.7904 8.2718 115.6055 55.5849 38.0848 174.8587 127 G 3.8562 8.2945 106.0532 45.6261 0.0000 172.6833 128 C 4.3026 8.0788 119.9722 59.3716 32.4609 173.2638 129 S 4.0640 8.6419 118.2247 59.1696 62.6928 172.3825 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 9 A 8.12 4.35 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 10 N 8.26 4.03 0.00 2.81 2.87 0.00 0.00 6.93 6.68 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 11 S 8.92 3.91 0.00 3.87 3.93 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 12 T 7.94 3.89 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 1.20 0.00 0.00 13 V 7.52 3.42 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 0.26 0.00 0.00 0.73 0.00 0.00 14 L 8.57 3.79 0.00 1.65 1.57 0.81 -0.05 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 15 S 8.20 4.10 0.00 4.07 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 16 F 7.72 4.40 0.00 3.04 3.33 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 17 C 8.32 3.91 0.00 2.79 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 18 A 7.98 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.31 4.61 0.00 2.97 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 20 A 7.13 4.23 1.06 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 21 V 8.21 3.80 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 0.71 0.00 0.00 0.93 0.00 0.00 22 D 7.55 4.58 0.00 2.73 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.21 0.00 2.06 1.95 0.00 3.77 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 2.22 2.26 0.00 24 A 8.10 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.17 3.76 0.00 1.95 1.98 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.47 1.49 7.81 26 A 8.14 4.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.14 4.39 0.00 3.03 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.43 3.70 0.00 1.83 2.01 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.43 7.81 29 D 8.36 4.34 0.00 3.18 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 30 Y 8.44 4.26 0.00 3.28 3.39 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 31 L 8.07 3.58 0.00 1.62 1.48 0.30 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.05 3.98 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.02 4.29 0.00 3.87 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 34 G 8.25 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 35 G 7.06 2.47 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 0.00 36 Q 8.37 4.14 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 37 P 0.00 4.65 0.00 2.15 2.34 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 38 I 8.40 3.95 1.78 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.36 0.82 0.00 0.00 39 T 8.80 4.73 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 40 N 8.65 4.24 0.00 2.91 2.99 0.00 0.00 6.77 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 41 C 8.16 4.56 0.00 3.14 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 42 V 8.13 3.94 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 0.86 0.00 0.00 1.02 0.00 0.00 43 K 8.54 4.74 0.00 1.48 1.44 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.74 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.43 1.31 7.81 44 M 8.61 4.34 0.00 1.80 1.94 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.89 0.00 45 L 7.99 4.20 0.00 1.53 1.56 0.85 0.94 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 46 C 7.31 4.40 0.00 3.05 2.83 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 47 T 8.48 4.24 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 1.18 0.00 0.00 48 H 6.81 4.24 0.00 3.13 3.23 0.00 5.71 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.50 4.61 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 50 G 7.88 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 51 T 8.37 4.09 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 52 G 8.42 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 53 Q 7.54 4.06 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 54 A 9.17 3.94 0.07 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 55 I 7.43 5.04 1.80 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 1.48 0.48 0.94 0.00 0.00 56 T 9.08 4.85 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 1.23 0.00 0.00 57 V 8.66 4.21 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 0.79 0.00 0.00 0.98 0.00 0.00 58 T 7.56 4.41 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 1.22 0.00 0.00 59 P 0.00 4.13 0.00 1.87 1.90 0.00 3.23 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.32 0.00 60 E 9.80 4.65 0.00 1.91 1.86 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 2.49 2.38 0.00 61 A 7.79 4.43 1.08 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 62 N 8.99 5.08 0.00 2.94 3.00 0.00 0.00 6.78 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 M 8.67 4.07 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 64 D 9.21 4.91 0.00 2.78 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 7.87 5.21 0.00 1.86 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.37 6.61 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 66 E 9.19 4.69 0.00 1.97 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 2.21 2.42 0.00 67 S 8.45 5.25 0.00 3.74 3.81 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 68 F 9.53 5.30 0.00 3.00 3.08 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 69 G 8.90 3.93 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 0.00 0.00 0.00 70 G 8.98 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 71 A 8.05 4.01 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 72 S 8.11 4.06 0.00 4.10 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 73 C 8.15 4.40 0.00 3.08 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 C 7.58 4.36 0.00 3.20 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.40 3.55 0.00 1.45 1.09 0.43 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.45 4.00 0.00 3.09 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 C 8.06 4.33 0.00 3.16 3.12 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 78 R 8.12 3.71 0.00 1.72 1.83 0.00 3.24 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 79 C 8.06 4.13 0.00 2.78 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 80 H 7.80 4.12 0.00 3.28 3.31 0.00 5.60 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 81 I 7.59 4.71 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 1.48 0.88 0.86 0.00 0.00 82 D 8.53 4.56 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 83 H 7.96 4.45 0.00 2.81 2.80 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 3.96 0.00 2.01 1.70 0.00 2.83 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.52 0.00 85 N 8.65 3.82 0.00 2.67 2.17 0.00 0.00 6.83 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 *89 F 8.97 4.16 0.00 3.04 3.25 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 90 C 7.70 3.85 0.00 2.97 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 91 D 8.26 4.87 0.00 2.84 2.77 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 92 L 8.41 4.46 0.00 1.68 1.75 1.02 0.93 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 93 K 7.96 3.90 0.00 1.71 1.76 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.44 7.81 94 G 9.00 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 0.00 0.00 0.00 95 K 7.94 4.62 0.00 1.70 1.90 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.69 7.81 96 Y 9.06 5.19 0.00 2.94 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 97 V 9.09 4.82 2.29 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 1.42 0.00 0.00 1.09 0.00 0.00 98 Q 9.19 5.02 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.46 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 99 I 8.89 3.92 2.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.36 0.14 0.00 0.00 100 P 0.00 4.53 0.00 1.79 2.04 0.00 2.20 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.98 0.00 101 T 8.82 3.89 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 102 T 8.01 3.86 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 1.25 0.00 0.00 103 C 8.29 4.62 0.00 2.48 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 0.00 104 A 8.01 4.19 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 0.00 105 N 7.99 4.56 0.00 2.86 2.98 0.00 0.00 5.76 8.06 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 0.00 106 D 7.82 4.83 0.00 2.77 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 3.89 0.00 1.82 1.12 0.00 3.55 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 1.65 1.45 0.00 108 V 7.26 4.12 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 1.14 0.00 0.00 0.84 0.00 0.00 109 G 8.39 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 0.00 110 F 8.28 3.77 0.00 3.04 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 0.00 111 T 7.39 3.54 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 112 L 7.18 4.13 0.00 1.94 1.79 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 113 R 7.87 4.01 0.00 1.49 1.82 0.00 3.02 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 114 N 6.82 4.97 0.00 1.44 2.34 0.00 0.00 6.80 7.59 0.00 0.00 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 T 8.31 4.88 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 1.27 0.00 0.00 116 V 8.32 4.11 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 0.44 0.00 0.00 -0.03 0.00 0.00 117 C 8.87 4.33 0.00 3.11 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 0.00 118 T 8.67 3.85 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 0.00 119 V 7.89 3.72 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 0.00 120 C 8.03 4.34 0.00 3.13 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 0.00 121 G 8.38 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 0.00 0.00 0.00 122 M 7.01 4.80 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.64 0.00 123 W 8.41 4.80 0.00 3.67 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 0.00 124 K 9.05 4.29 0.00 2.05 1.87 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.51 7.81 125 G 9.61 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 0.00 126 Y 8.27 4.79 0.00 3.15 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 0.00 127 G 8.29 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 0.00 0.00 0.00 128 C 8.08 4.30 0.00 3.19 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 0.00 129 S 8.64 4.06 0.00 4.01 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 * Residues marked with a * may have inaccurate shift predictions.