NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3524 8.2493 123.5837 52.4825 20.0839 176.4543 2 T 4.4093 8.3686 111.6180 62.0436 70.8958 172.8505 3 K 5.3301 8.3498 122.4173 54.7897 37.1153 176.2561 4 A 5.2912 8.7843 123.3509 51.1546 23.4232 175.2283 5 V 4.9769 8.9693 117.8997 60.9685 35.7311 173.5390 6 C 4.9301 8.7798 120.9521 58.3020 35.6641 172.5398 7 V 4.7017 8.5314 126.2248 61.4845 33.0472 174.1047 8 L 5.0282 8.4675 128.4861 53.7285 43.8731 175.9584 9 K 4.8178 8.6076 119.7634 56.1191 37.1437 175.5926 10 G 4.2941 8.1625 110.9565 45.0440 0.0000 171.5587 11 D 4.4488 8.9458 118.4144 57.1772 41.4156 176.8607 12 G 4.0416 7.6156 108.5122 44.4072 0.0000 171.1825 13 P 4.3596 0.0000 0.0000 63.6882 32.0571 176.0374 14 V 4.1972 7.8738 119.6793 63.0725 31.9043 174.9696 15 Q 4.8359 8.6106 125.3459 55.1179 32.3517 173.7352 16 G 4.3926 8.8358 107.5208 45.5277 0.0000 171.6622 17 I 4.9376 8.5725 119.4467 59.8039 41.0215 174.8144 18 I 4.5482 8.4581 129.1759 59.6011 39.0564 175.0921 19 N 4.7282 8.3224 125.3867 52.1001 40.3082 174.3186 20 F 5.3727 8.6975 120.4028 55.1405 42.7711 174.3696 21 E 5.2310 8.8317 121.7079 55.4139 33.0489 173.4791 22 Q 5.2386 9.6995 128.7320 53.5166 29.8677 175.4575 23 K 3.8909 8.8104 124.8902 58.7067 33.1502 177.4924 24 E 4.6808 8.0278 116.9003 55.0923 32.3332 176.4554 25 S 3.7392 7.6673 115.7688 60.8958 63.6057 174.4919 26 N 4.7285 7.8873 115.8090 52.8241 39.0447 175.3173 27 G 3.8946 7.6615 108.6454 44.2495 0.0000 171.4743 28 P 4.7172 0.0000 0.0000 62.5372 32.7932 175.8389 29 V 4.5841 9.1246 121.8135 61.2135 33.2338 174.9287 30 K 4.7018 9.0634 128.7664 56.0221 32.9411 176.6865 31 V 4.3860 8.5044 127.0570 60.4491 32.6791 175.3844 32 W 5.4672 9.7033 122.2956 54.4125 32.2480 175.4509 33 G 3.6813 7.0998 105.5216 45.8176 0.0000 171.3994 34 S 4.9903 8.1483 114.9617 56.8282 66.0414 174.0525 35 I 4.9146 8.5356 128.1341 59.6550 39.4093 175.2297 36 K 4.7013 8.6730 125.6504 55.3131 35.9594 176.8464 37 G 3.9562 8.6219 105.3140 46.0921 0.0000 173.0777 38 L 4.5170 7.3460 121.5208 52.8527 43.5213 176.2795 39 T 4.2508 8.1727 114.1999 61.3289 69.1035 173.7254 40 E 4.1806 8.5162 124.3128 57.5414 30.8300 175.4305 41 G 4.1393 8.5167 109.8427 43.6783 0.0000 171.0815 42 L 4.9898 8.4551 121.2956 53.6102 44.6539 176.1705 43 H 5.3159 9.5039 124.5991 53.4530 31.6813 173.9700 44 G 4.1487 9.1185 111.0157 47.0940 0.0000 172.2165 45 F 5.6981 8.9980 124.8120 56.8899 42.2927 173.0777 46 H 5.4141 9.2549 122.6602 54.0726 33.8068 172.6502 47 V 4.5448 8.3828 120.9175 62.2117 32.7138 174.9386 48 H 5.1170 9.5474 126.0455 54.2267 30.8533 175.6124 49 E 3.7165 9.5620 123.0869 58.8928 29.8533 177.2114 50 F 4.9773 8.4280 117.8829 54.8773 42.2530 176.4175 51 G 4.1367 8.4569 110.7836 44.3594 0.0000 173.9134 52 D 4.6655 8.0183 119.2501 52.7229 41.8922 174.5482 53 N 5.0448 8.5248 125.3913 53.6949 39.1119 176.5588 54 T 4.0359 8.1757 108.9750 62.8953 69.1730 174.8389 55 A 4.6771 8.0133 125.0710 51.5951 20.4477 177.5713 56 G 3.9089 7.8626 107.5992 47.4169 0.0000 175.2907 57 C 4.6100 8.5909 116.1435 58.5862 38.2059 175.6393 58 T 3.6459 7.7860 116.9723 65.9201 68.3151 176.3124 59 S 4.2886 7.5432 113.1883 59.6084 63.7175 175.2493 60 A 4.8652 6.9799 124.1279 52.9166 18.8436 178.4859 61 G 4.0390 7.7176 103.3173 45.0945 0.0000 169.6460 62 P 4.8326 0.0000 0.0000 61.6546 34.8274 174.7395 63 H 4.5106 8.4666 116.3421 56.3083 29.3647 175.2402 64 F 4.2890 9.0208 125.8154 58.9865 40.5610 173.9792 65 N 4.8091 8.3738 125.2054 51.8202 39.3171 172.5481 66 P 4.2812 0.0000 0.0000 64.0764 32.1193 176.4076 *80 H 5.1078 7.7568 114.6946 55.3138 29.8812 174.3415 81 V 3.4058 8.2544 121.8396 66.2058 31.5556 177.2963 82 G 3.8191 8.0503 104.8786 47.2339 0.0000 173.2569 83 D 4.8909 7.8711 121.0912 53.7662 40.2136 175.0488 84 L 4.5335 8.5771 123.7945 52.9322 42.7956 177.3385 85 G 4.1150 9.0234 110.0378 45.4468 0.0000 175.6125 86 N 5.4847 8.5088 119.2314 51.7287 42.6120 172.8275 87 V 4.2972 8.7574 114.6774 60.0897 35.1219 174.9401 88 T 4.9651 8.0989 117.6434 61.7914 71.6786 173.0363 89 A 4.6977 9.4008 130.2194 50.6613 20.1804 177.0987 90 D 4.8856 8.7267 123.3614 52.4483 40.3715 177.2224 91 K 3.9002 8.5732 117.2634 59.5015 32.0240 177.2183 92 D 4.5600 8.3054 116.6465 53.9214 40.6098 177.5140 93 G 4.3550 8.5567 108.4972 44.6990 0.0000 173.3963 94 V 4.3173 7.6186 120.6626 61.9677 33.0421 174.4041 95 A 5.0084 8.8080 130.8932 50.5125 20.1323 175.5893 96 D 5.0199 8.6376 123.4895 52.8004 42.2764 176.1362 97 V 3.9006 8.5112 125.3559 62.1168 32.9344 175.0012 98 S 4.8862 8.6668 122.2083 56.9916 64.3782 172.5203 99 I 4.7936 9.3878 127.9518 59.3336 40.9477 174.4790 100 E 5.1702 8.8261 124.2079 54.8061 32.1709 174.9083 101 D 4.9406 9.0332 122.3345 52.8177 45.1579 175.4575 102 S 4.8525 8.7181 116.4457 57.8717 64.2405 174.6530 103 V 3.9508 8.3231 122.0027 64.8519 31.7943 176.5361 104 I 4.2020 7.7286 111.6034 60.4166 38.8103 174.3550 105 S 4.6980 8.9369 115.0775 57.1154 65.5171 174.1470 106 L 4.4408 9.1794 122.9060 54.5588 41.5315 176.5052 107 S 4.5314 7.8331 112.8401 58.1276 66.7997 175.6858 108 G 3.8332 8.5466 107.5426 45.5559 0.0000 174.2386 109 D 4.4662 8.7975 117.9322 56.8162 41.6959 177.5115 110 H 5.0868 8.0242 115.3920 55.3446 29.3553 173.2309 111 C 4.6173 7.9910 120.4288 59.7561 31.7334 173.3540 112 I 4.0276 8.0931 118.8636 60.4976 38.5782 175.7264 113 I 3.7212 7.3178 122.8692 62.7569 37.3583 176.2797 114 G 3.8389 9.6426 113.6461 45.2905 0.0000 172.6530 115 R 4.8367 7.3024 118.7095 54.4211 34.1622 174.0215 116 T 5.2751 7.6565 114.2961 61.2114 71.3691 173.7207 117 L 4.6110 8.4906 129.1651 54.7576 43.6791 175.4641 118 V 5.0793 9.2537 126.2020 61.0002 35.0973 174.1667 119 V 5.1720 8.7367 126.7390 60.6225 33.6216 175.1197 120 H 5.1115 9.1034 122.2170 54.3478 30.6980 175.1520 121 E 4.1353 8.9522 120.5518 59.5051 29.4659 177.1928 122 K 4.6128 8.0454 118.2098 54.4920 34.5274 175.7841 123 A 4.7658 8.5699 124.1312 51.8943 18.5014 176.8712 124 D 4.3802 9.5826 124.0145 54.6545 40.3442 175.6254 *142 S 4.2675 8.0811 119.2037 57.9634 65.1478 173.3945 143 R 4.2744 8.3730 120.6856 54.8132 29.7176 175.9956 144 L 4.2282 8.5156 125.4365 57.7125 42.2576 177.5382 145 A 4.6974 7.7832 117.5094 51.6803 22.8798 173.8237 146 C 5.7007 8.2113 112.1500 56.1266 39.8809 172.8727 147 G 4.9304 8.1278 105.1646 45.8555 0.0000 172.3810 148 V 4.3106 8.2165 120.2281 62.5881 32.6369 175.3423 149 I 4.1995 9.4656 129.0725 60.7809 38.2744 175.3306 150 G 4.4265 8.7593 113.3646 43.8054 0.0000 171.7559 151 I 4.3639 8.3167 120.5129 61.1727 37.6830 175.5828 152 A 4.8209 8.3919 127.0840 49.5563 22.4768 176.1142 153 Q 4.0697 8.5167 118.5583 56.5129 29.2115 175.8309 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 A 8.25 4.35 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 2 T 8.37 4.41 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 1.27 0.00 0.00 3 K 8.35 5.33 0.00 1.73 1.75 0.00 1.73 0.00 0.00 1.94 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.57 1.52 7.81 4 A 8.78 5.29 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.97 4.98 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 0.70 0.00 0.00 0.88 0.00 0.00 6 C 8.78 4.93 0.00 3.18 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 7 V 8.53 4.70 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 0.94 0.00 0.00 0.93 0.00 0.00 8 L 8.47 5.03 0.00 1.81 1.58 1.01 0.65 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 9 K 8.61 4.82 0.00 1.71 1.64 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.37 7.81 10 G 8.16 4.29 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 0.00 11 D 8.95 4.45 0.00 2.68 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 12 G 7.62 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 0.00 0.00 0.00 13 P 0.00 4.36 0.00 2.18 2.17 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.94 0.00 14 V 7.87 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 1.04 0.00 0.00 0.94 0.00 0.00 15 Q 8.61 4.84 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.41 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 16 G 8.84 4.39 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 0.00 17 I 8.57 4.94 1.82 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 1.21 1.01 0.84 0.00 0.00 18 I 8.46 4.55 1.86 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 1.35 1.89 0.46 0.00 0.00 19 N 8.32 4.73 0.00 1.44 1.42 0.00 0.00 6.38 8.15 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 20 F 8.70 5.37 0.00 2.94 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.83 5.23 0.00 2.56 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 22 Q 9.70 5.24 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 23 K 8.81 3.89 0.00 1.92 1.98 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.46 7.81 24 E 8.03 4.68 0.00 1.98 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 2.20 2.26 0.00 25 S 7.67 3.74 0.00 3.88 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 26 N 7.89 4.73 0.00 2.73 2.83 0.00 0.00 6.86 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 27 G 7.66 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 28 P 0.00 4.72 0.00 2.13 2.09 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 29 V 9.12 4.58 2.25 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 1.24 0.00 0.00 1.03 0.00 0.00 30 K 9.06 4.70 0.00 2.01 1.89 0.00 1.54 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.44 7.81 31 V 8.50 4.39 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.87 0.00 0.00 32 W 9.70 5.47 0.00 3.47 3.23 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 33 G 7.10 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.15 4.99 0.00 3.86 3.64 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 35 I 8.54 4.91 1.80 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.48 0.94 0.00 0.00 36 K 8.67 4.70 0.00 1.80 1.92 0.00 1.40 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.35 7.81 37 G 8.62 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 38 L 7.35 4.52 0.00 1.80 1.59 0.75 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.17 4.25 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 1.23 0.00 0.00 40 E 8.52 4.18 0.00 2.03 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 2.39 2.50 0.00 41 G 8.52 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 0.00 0.00 0.00 0.00 42 L 8.46 4.99 0.00 1.69 1.45 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.50 5.32 0.00 3.04 3.33 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.12 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 45 F 9.00 5.70 0.00 3.01 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 46 H 9.25 5.41 0.00 3.27 3.06 0.00 5.85 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.38 4.54 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 0.84 0.00 0.00 0.89 0.00 0.00 48 H 9.55 5.12 0.00 3.14 3.40 0.00 5.69 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 49 E 9.56 3.72 0.00 1.52 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 1.47 2.10 0.00 50 F 8.43 4.98 0.00 2.99 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 51 G 8.46 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 0.00 0.00 0.00 0.00 52 D 8.02 4.67 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 53 N 8.52 5.04 0.00 2.83 2.72 0.00 0.00 6.92 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 54 T 8.18 4.04 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 1.20 0.00 0.00 55 A 8.01 4.68 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 56 G 7.86 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 C 8.59 4.61 0.00 2.97 3.07 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 58 T 7.79 3.65 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 1.22 0.00 0.00 59 S 7.54 4.29 0.00 4.13 3.98 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 0.00 0.00 0.00 0.00 60 A 6.98 4.87 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.72 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 0.00 0.00 0.00 62 P 0.00 4.83 0.00 2.05 2.21 0.00 3.71 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 63 H 8.47 4.51 0.00 2.82 3.17 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.02 4.29 0.00 2.94 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 65 N 8.37 4.81 0.00 2.66 2.48 0.00 0.00 7.17 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 66 P 0.00 4.28 0.00 1.97 2.03 0.00 3.34 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.77 0.00 *80 H 7.76 5.11 0.00 3.16 3.30 0.00 5.90 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.25 3.41 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.48 0.00 0.00 82 G 8.05 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 83 D 7.87 4.89 0.00 2.75 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.58 4.53 0.00 1.78 1.79 0.78 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 85 G 9.02 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 0.00 0.00 0.00 86 N 8.51 5.48 0.00 2.56 2.66 0.00 0.00 6.65 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 87 V 8.76 4.30 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 -0.09 0.00 0.00 0.61 0.00 0.00 88 T 8.10 4.97 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 89 A 9.40 4.70 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 90 D 8.73 4.89 0.00 2.93 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 91 K 8.57 3.90 0.00 1.88 2.15 0.00 1.17 0.00 0.00 1.01 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.45 7.81 92 D 8.31 4.56 0.00 2.70 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 93 G 8.56 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 0.00 0.00 0.00 0.00 94 V 7.62 4.32 2.25 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 0.97 0.00 0.00 0.92 0.00 0.00 95 A 8.81 5.01 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 96 D 8.64 5.02 0.00 2.53 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.51 3.90 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 0.87 0.00 0.00 0.61 0.00 0.00 98 S 8.67 4.89 0.00 3.89 3.73 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 99 I 9.39 4.79 2.09 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.20 1.00 0.00 0.00 100 E 8.83 5.17 0.00 1.84 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 2.24 2.28 0.00 101 D 9.03 4.94 0.00 2.83 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.72 4.85 0.00 3.99 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 0.00 103 V 8.32 3.95 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 0.78 0.00 0.00 0.94 0.00 0.00 104 I 7.73 4.20 1.94 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.82 1.01 0.00 0.00 105 S 8.94 4.70 0.00 3.84 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 0.00 106 L 9.18 4.44 0.00 1.82 1.72 1.04 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.83 4.53 0.00 3.88 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 0.00 108 G 8.55 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 0.00 109 D 8.80 4.47 0.00 2.66 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 0.00 110 H 8.02 5.09 0.00 3.24 3.38 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 7.99 4.62 0.00 3.17 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 0.00 112 I 8.09 4.03 1.64 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.28 1.03 0.00 0.00 113 I 7.32 3.72 1.77 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 1.19 0.39 0.83 0.00 0.00 114 G 9.64 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 7.30 4.84 0.00 1.44 1.83 0.00 2.21 0.00 0.00 2.70 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.20 0.00 116 T 7.66 5.28 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 1.23 0.00 0.00 117 L 8.49 4.61 0.00 1.78 1.55 0.43 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 118 V 9.25 5.08 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 0.78 0.00 0.00 0.77 0.00 0.00 119 V 8.74 5.17 2.33 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 0.76 0.00 0.00 0.97 0.00 0.00 120 H 9.10 5.11 0.00 3.14 3.38 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.95 4.14 0.00 2.24 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 0.00 2.37 2.33 0.00 122 K 8.05 4.61 0.00 1.79 1.72 0.00 1.78 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.51 1.48 7.81 123 A 8.57 4.77 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 0.00 124 D 9.58 4.38 0.00 2.94 2.68 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 0.00 0.00 0.00 *142 S 8.08 4.27 0.00 3.98 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 0.00 143 R 8.37 4.27 0.00 1.66 1.83 0.00 3.22 0.00 0.00 3.11 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.60 0.00 144 L 8.52 4.23 0.00 1.66 1.71 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.78 4.70 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 0.00 146 C 8.21 5.70 0.00 3.06 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 0.00 147 G 8.13 4.93 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 0.00 148 V 8.22 4.31 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.95 0.00 0.00 149 I 9.47 4.20 1.80 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.64 0.37 0.00 0.00 150 G 8.76 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 0.00 151 I 8.32 4.36 1.86 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 1.25 0.54 0.91 0.00 0.00 152 A 8.39 4.82 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 0.00 153 Q 8.52 4.07 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.