NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 I 4.1124 7.8827 114.2676 60.2612 39.6863 176.7926 8 D 4.1485 7.9753 121.9397 56.9542 40.6501 176.0235 9 D 4.3456 8.8973 119.9489 57.6692 41.4730 177.6382 10 I 3.8881 7.7022 119.1683 64.7404 36.7519 178.3081 11 L 3.9259 7.5567 119.2437 57.7556 41.2090 178.7658 12 Q 4.3678 7.6164 114.7312 56.4760 28.9507 177.2597 13 L 4.3985 7.9443 120.5730 54.9009 41.9560 177.0139 14 K 3.8932 7.1820 118.7081 56.4442 32.3847 176.9859 15 D 4.7051 8.6352 124.9060 52.6902 40.5789 176.3244 16 D 4.5416 8.7640 118.0823 57.6279 40.6986 177.6598 17 T 4.2227 8.2394 106.8672 60.9854 69.0450 175.3346 18 G 3.7962 8.5413 110.0557 46.0429 0.0000 173.3504 19 V 4.5962 7.7112 118.8720 60.8457 34.5491 174.2835 20 I 4.7626 8.9005 128.7492 60.0717 38.9045 175.0140 21 T 4.8091 8.6592 124.8283 63.2391 68.9914 174.6251 22 V 4.3894 9.0053 128.5469 62.8754 32.5199 175.3464 23 T 4.7255 9.8633 117.3177 59.2174 71.5618 174.7843 24 A 4.1267 8.9143 124.4311 54.9260 18.3357 178.9659 25 D 4.5304 7.9520 115.7176 57.3103 41.4297 177.9082 26 N 4.5839 8.4129 115.5897 54.0544 37.5380 176.2528 27 Y 4.0731 7.9203 123.1799 60.7197 38.7470 175.9020 28 P 3.6149 0.0000 0.0000 65.3244 31.6250 178.1611 29 L 3.8945 7.4672 118.3034 58.1855 42.2840 178.8048 30 L 3.8138 8.2781 119.6476 57.5413 41.4382 179.6150 31 S 2.0000 7.3900 113.8980 59.6074 62.4543 175.7585 32 R 4.3668 6.4548 121.2974 55.7992 30.4243 177.8263 33 G 4.0577 8.2141 109.2033 43.7113 0.0000 172.6122 34 V 4.3377 7.8109 116.5298 59.8927 34.1210 173.6900 35 P 4.2354 0.0000 0.0000 64.4653 31.4285 176.8118 36 G 3.8850 8.9123 111.1687 45.3412 0.0000 172.2339 37 Y 4.7849 7.9403 118.5134 56.1852 39.9678 175.5116 38 F 4.5044 9.9000 123.5835 57.7396 40.4679 174.2693 39 N 5.7895 9.9741 120.3693 52.0384 40.8447 173.7688 40 I 4.6059 9.2936 126.7488 59.9664 38.9018 174.8535 41 L 5.3986 9.3770 130.1910 53.4047 44.7453 174.3804 42 Y 4.9454 9.2131 129.0934 56.5373 40.2500 174.4256 43 I 4.1848 9.2489 130.4027 60.4684 38.5829 174.6399 44 T 4.3174 8.3649 123.2317 61.4025 71.3618 171.7578 45 M 4.7648 8.1345 119.0946 55.3875 34.5301 174.9221 46 R 4.1670 8.8180 127.9791 54.3414 31.2669 175.3035 *53 M 4.1737 8.3128 124.8999 55.2765 33.2994 175.5187 54 S 4.2222 8.4618 122.9958 61.3474 63.4918 176.0526 55 C 4.1389 7.9874 120.2915 62.6805 27.9033 175.5244 56 Q 3.9914 8.0121 120.7285 58.9596 28.7466 177.6961 57 L 3.9709 7.8672 121.2676 58.4256 41.8845 178.4414 58 C 4.7152 8.1538 117.9469 62.7560 27.9355 175.8647 59 H 4.2570 8.1970 117.9012 59.3135 29.5282 176.7176 60 D 4.4893 8.6558 121.1931 57.4442 40.6845 178.4547 61 F 4.7374 8.4115 121.6397 59.6344 39.2875 176.8843 62 E 3.9536 7.8750 118.6426 59.7136 29.2771 179.4271 63 K 3.8830 7.5084 116.6691 59.7097 32.1168 179.4850 64 T 3.7122 7.5753 115.4433 66.6468 68.2457 175.5743 65 Y 3.8233 7.4768 121.7808 61.1665 38.7423 178.1337 66 H 3.7458 8.3340 116.7348 58.3944 28.6600 177.5719 67 A 3.8639 8.2179 123.0821 55.3580 18.1973 179.9656 68 V 3.4266 7.8809 116.3811 65.7345 31.5359 177.8026 69 A 2.7389 7.7391 120.9077 54.9790 17.9722 179.1801 70 D 4.1260 8.1107 117.3311 57.5505 40.8391 179.2890 71 V 3.5130 7.7977 118.6523 66.1646 31.3787 178.2084 72 I 3.6722 7.9758 119.8307 64.2701 36.7475 178.3094 73 R 3.8276 7.9671 118.9655 59.4088 29.9096 178.2976 74 S 4.1880 8.0082 111.9885 61.0491 62.6286 175.3431 75 Q 4.4294 8.2211 117.6117 55.5304 30.6871 175.4580 76 A 4.7478 8.1600 123.1078 50.0120 18.9436 175.3335 77 P 4.4130 0.0000 0.0000 65.2466 32.0347 178.5538 78 Q 4.1082 7.9186 116.6677 57.5680 29.1421 176.3019 79 S 4.0337 7.6828 112.6507 59.1549 62.8624 174.9362 80 L 4.1414 8.2393 128.7053 53.2890 39.9526 174.8712 81 N 5.8545 8.2497 117.7383 50.8818 41.3297 174.3923 82 L 4.8964 9.2491 120.0532 53.1563 45.6658 175.3611 83 F 5.0725 8.8758 122.3126 56.2841 40.7946 174.8369 84 F 5.7098 10.3611 123.3027 56.1214 42.7417 174.5178 85 T 5.4491 9.5683 118.0608 61.9062 72.6442 173.3511 86 V 4.6989 8.9340 125.4550 59.9081 34.7581 173.9099 87 D 5.0660 8.6746 124.9103 53.0551 41.7931 177.4890 88 V 3.5874 8.5924 120.5309 64.2888 31.7101 177.1183 89 N 4.5459 8.8300 115.8043 54.3096 38.8296 175.4445 90 E 4.3172 8.3065 119.2323 56.9307 30.1555 176.0191 91 V 4.3180 7.1890 118.6113 57.9183 31.4917 173.7723 92 P 4.2601 0.0000 0.0000 66.1997 31.1445 178.1890 93 Q 3.8699 7.9020 119.1544 59.0991 29.0567 177.5973 94 L 3.2912 7.2743 120.7152 58.0728 41.7913 179.0174 95 V 3.5037 7.1682 116.7083 65.8468 31.5119 178.2298 96 K 3.9367 8.2549 118.4254 59.6055 31.7365 178.9366 97 D 4.4658 8.6301 118.7788 57.3111 40.9015 178.2154 98 L 4.4469 8.1501 116.1539 53.3390 42.0248 176.6004 99 K 3.8542 7.9889 117.1688 56.9923 30.3543 175.5132 100 L 4.0925 7.9870 118.0223 55.1676 41.9496 177.5292 101 Q 4.5193 8.4561 121.0380 56.0474 30.6678 174.3999 102 N 4.7594 7.6263 112.9161 52.4666 39.7314 173.2844 103 V 4.3364 7.7472 110.3454 59.2159 35.5819 173.0134 104 P 4.7757 0.0000 0.0000 62.4103 33.0638 174.5515 105 H 4.8861 9.1557 116.1883 53.8482 33.3782 172.7261 106 L 5.3088 8.5263 123.0400 53.7167 44.5029 175.3158 107 V 5.0780 8.8492 120.0855 59.5092 35.4954 175.2050 108 V 4.9077 9.5202 123.6069 61.5611 34.6233 173.8308 109 Y 5.1332 9.5589 127.1811 56.2119 39.1285 173.9246 110 P 4.5723 0.0000 0.0000 61.6541 32.3790 174.4147 111 P 4.3671 0.0000 0.0000 61.9737 31.7204 176.1162 112 A 4.2394 7.7868 123.8226 51.8136 19.3040 177.4852 113 E 4.0887 8.5982 119.7991 56.3390 30.1865 178.3643 114 S 4.1277 9.0284 119.8082 61.9207 62.9742 176.5654 115 N 4.5225 8.1155 114.8725 54.5278 37.1709 175.4288 116 K 4.6295 8.3551 119.4841 56.0868 33.3349 178.1582 117 Q 4.0295 8.0318 122.2038 59.3196 29.0675 178.7683 118 S 4.1160 8.1551 110.8459 61.0669 62.9034 174.7481 119 Q 4.2894 7.5819 115.3169 55.8564 28.5102 175.4410 120 F 4.2830 8.6877 123.2854 57.5171 40.1673 173.8549 121 E 4.8876 7.3134 122.6748 55.4529 31.8406 176.0408 122 W 3.2578 7.9730 121.0935 59.4223 29.2236 177.8906 123 K 4.2995 7.9670 116.5349 58.7472 32.4537 177.5219 124 T 4.5368 7.6203 106.9924 61.4659 70.7062 174.4465 125 S 4.4674 8.3256 120.3002 56.8897 63.5892 171.9909 126 P 4.3139 0.0000 0.0000 63.4484 31.4380 175.2995 127 F 4.9608 7.2818 113.6170 55.7054 40.9405 173.1637 128 Y 4.6175 9.1924 118.8126 57.6745 39.4739 174.2314 129 Q 5.3670 8.8356 124.0660 54.3629 31.5544 174.1005 130 Y 3.5033 8.9563 129.2259 57.0251 39.4435 175.7829 131 S 3.8767 8.0224 122.8380 58.7339 61.4864 172.4752 132 L 4.1769 7.7288 126.7814 53.2774 42.4891 176.0415 133 V 4.5218 8.6631 118.8619 58.7282 35.6558 174.8090 134 P 4.3003 0.0000 0.0000 65.8339 31.2505 178.9690 135 E 4.0625 8.1666 116.6077 58.4358 29.7228 177.0935 136 N 5.0189 8.2521 114.0727 52.0099 38.4439 175.7222 137 A 4.1320 7.7694 124.2271 55.4060 18.4149 179.5143 138 E 5.1426 8.0791 110.7903 55.5904 30.3937 176.7247 139 N 4.7283 8.1518 120.2434 52.7267 38.0908 175.2121 140 T 4.0966 8.3303 118.6019 63.9963 69.2165 176.1982 141 L 3.9696 8.1898 123.0308 58.2415 42.1750 178.7302 142 Q 4.1426 9.0733 119.8476 59.2915 28.9380 178.0585 143 F 4.0721 8.5060 121.4888 60.9626 39.4351 177.4575 144 G 3.4615 8.7885 105.9550 47.8652 0.0000 175.4159 145 D 4.3775 8.7080 121.7655 56.8596 40.7412 178.5880 146 F 4.1742 8.3897 121.1489 61.4988 39.4143 177.2516 147 L 3.4536 7.8161 118.4782 57.3658 41.2242 179.3327 148 A 3.7597 8.1481 121.0918 55.1360 18.4391 179.9034 149 K 3.8085 7.9011 116.8811 59.4314 31.8323 179.8299 150 I 3.3993 6.7222 118.8619 64.0479 37.1290 177.9413 151 L 3.2607 7.8974 117.0699 53.9484 42.3140 176.0597 152 N 4.0523 7.2703 115.6985 54.8130 37.6403 172.9277 153 I 4.5213 7.8522 109.2843 58.9972 40.9428 175.2205 154 S 4.6044 8.4754 117.3577 56.8543 63.7322 173.7942 155 I 4.6355 8.0761 118.1232 59.0614 40.1380 175.4550 156 T 4.4258 9.4307 119.0017 61.7854 69.6642 174.4092 157 V 3.9526 8.1315 120.2133 60.0183 32.5056 176.4067 158 P 4.5710 0.0000 0.0000 62.0544 28.9444 176.0022 159 Q 4.5903 7.7069 122.3063 55.1266 30.8064 173.8837 *161 F 4.8830 7.8461 116.9342 57.1541 38.2017 175.6704 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 7 I 7.88 4.11 1.80 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 1.29 0.74 0.88 0.00 0.00 8 D 7.98 4.15 0.00 2.89 2.71 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 0.00 0.00 0.00 0.00 9 D 8.90 4.35 0.00 2.68 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 10 I 7.70 3.89 1.96 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.70 1.02 0.00 0.00 11 L 7.56 3.93 0.00 1.83 1.71 0.66 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 7.62 4.37 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 13 L 7.94 4.40 0.00 1.81 1.79 1.02 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.18 3.89 0.00 1.76 1.77 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.51 7.81 15 D 8.64 4.71 0.00 2.95 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 16 D 8.76 4.54 0.00 2.67 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 17 T 8.24 4.22 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 1.22 0.00 0.00 18 G 8.54 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 0.00 0.00 0.00 19 V 7.71 4.60 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.67 0.00 0.00 20 I 8.90 4.76 1.79 0.00 0.00 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 1.18 0.39 1.21 0.00 0.00 21 T 8.66 4.81 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 1.32 0.00 0.00 22 V 9.01 4.39 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.47 0.00 0.00 23 T 9.86 4.73 4.44 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 1.29 0.00 0.00 24 A 8.91 4.13 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 25 D 7.95 4.53 0.00 2.72 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 26 N 8.41 4.58 0.00 3.05 3.10 0.00 0.00 6.76 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 27 Y 7.92 4.07 0.00 3.21 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 3.61 0.00 1.91 1.95 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 2.00 2.14 0.00 29 L 7.47 3.89 0.00 1.65 1.71 0.84 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.28 3.81 0.00 1.22 1.28 1.30 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.39 2.00 0.00 3.07 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 32 R 6.45 4.37 0.00 1.85 1.95 0.00 3.17 0.00 0.00 2.95 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.35 0.00 33 G 8.21 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 34 V 7.81 4.34 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.90 0.00 0.00 35 P 0.00 4.24 0.00 2.11 2.00 0.00 3.77 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 2.03 2.08 0.00 36 G 8.91 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 0.00 0.00 0.00 37 Y 7.94 4.78 0.00 3.22 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 38 F 9.90 4.50 0.00 3.04 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 39 N 9.97 5.79 0.00 3.14 3.10 0.00 0.00 6.95 7.19 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 40 I 9.29 4.61 1.19 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.71 1.24 0.00 0.00 41 L 9.38 5.40 0.00 1.24 1.26 0.82 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 9.21 4.95 0.00 1.78 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 43 I 9.25 4.18 1.77 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.46 0.82 0.00 0.00 44 T 8.36 4.32 2.86 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 1.06 0.00 0.00 45 M 8.13 4.76 0.00 1.96 1.84 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 46 R 8.82 4.17 0.00 1.83 1.83 0.00 3.39 0.00 0.00 3.20 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 *53 M 8.31 4.17 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.67 0.00 54 S 8.46 4.22 0.00 4.26 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 55 C 7.99 4.14 0.00 2.99 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.01 3.99 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.81 0.00 57 L 7.87 3.97 0.00 1.83 1.85 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 58 C 8.15 4.72 0.00 3.29 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 59 H 8.20 4.26 0.00 3.18 3.51 0.00 5.95 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 60 D 8.66 4.49 0.00 2.92 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 61 F 8.41 4.74 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 7.88 3.95 0.00 2.31 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 2.87 2.70 0.00 63 K 7.51 3.88 0.00 1.76 1.79 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.36 7.81 64 T 7.58 3.71 3.56 0.00 0.00 0.00 0.00 0.00 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 65 Y 7.48 3.82 0.00 1.85 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 66 H 8.33 3.75 0.00 3.16 3.24 0.00 5.88 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.22 3.86 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 68 V 7.88 3.43 2.27 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 0.87 0.00 0.00 1.14 0.00 0.00 69 A 7.74 2.74 0.20 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 0.00 0.00 0.00 70 D 8.11 4.13 0.00 2.70 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 71 V 7.80 3.51 2.15 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 1.11 0.00 0.00 0.94 0.00 0.00 72 I 7.98 3.67 1.99 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 1.35 0.60 0.96 0.00 0.00 73 R 7.97 3.83 0.00 1.65 2.00 0.00 3.22 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 74 S 8.01 4.19 0.00 3.88 4.01 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 75 Q 8.22 4.43 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.11 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 76 A 8.16 4.75 1.20 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 0.00 0.00 0.00 77 P 0.00 4.41 0.00 2.18 2.19 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 78 Q 7.92 4.11 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 79 S 7.68 4.03 0.00 3.78 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 80 L 8.24 4.14 0.00 1.51 0.57 0.73 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 81 N 8.25 5.85 0.00 2.66 2.77 0.00 0.00 6.13 7.79 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 82 L 9.25 4.90 0.00 1.81 1.09 0.97 0.96 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 83 F 8.88 5.07 0.00 2.86 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 84 F 10.36 5.71 0.00 2.98 3.17 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 85 T 9.57 5.45 4.50 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 0.00 0.00 0.00 1.43 0.00 0.00 86 V 8.93 4.70 2.22 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 0.77 0.00 0.00 0.94 0.00 0.00 87 D 8.67 5.07 0.00 2.76 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 88 V 8.59 3.59 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 0.69 0.00 0.00 0.94 0.00 0.00 89 N 8.83 4.55 0.00 2.84 2.85 0.00 0.00 6.86 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 90 E 8.31 4.32 0.00 1.89 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 2.29 2.29 0.00 91 V 7.19 4.32 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 0.80 0.00 0.00 0.57 0.00 0.00 92 P 0.00 4.26 0.00 2.25 2.32 0.00 3.75 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 2.00 0.00 93 Q 7.90 3.87 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.88 0.00 0.00 0.00 0.00 0.00 2.59 2.88 0.00 94 L 7.27 3.29 0.00 0.58 1.47 1.08 0.77 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 95 V 7.17 3.50 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.91 0.00 0.00 96 K 8.25 3.94 0.00 1.93 1.84 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.72 7.81 97 D 8.63 4.47 0.00 2.85 2.87 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 0.00 0.00 0.00 98 L 8.15 4.45 0.00 1.70 1.63 1.12 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.99 3.85 0.00 1.89 1.87 0.00 1.73 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.56 7.81 100 L 7.99 4.09 0.00 1.59 1.59 0.85 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 8.46 4.52 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.48 0.00 102 N 7.63 4.76 0.00 2.73 2.76 0.00 0.00 5.83 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 0.00 103 V 7.75 4.34 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.87 0.00 0.00 104 P 0.00 4.78 0.00 2.12 2.01 0.00 3.62 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.02 0.00 105 H 9.16 4.89 0.00 2.89 3.18 0.00 5.55 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.53 5.31 0.00 1.47 1.50 1.42 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.85 5.08 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 0.30 0.00 0.00 0.50 0.00 0.00 108 V 9.52 4.91 2.45 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 1.20 0.00 0.00 1.26 0.00 0.00 109 Y 9.56 5.13 0.00 3.27 3.37 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 0.00 110 P 0.00 4.57 0.00 2.03 2.28 0.00 4.15 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 2.11 1.95 0.00 111 P 0.00 4.37 0.00 1.87 2.02 0.00 2.20 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.31 0.00 112 A 7.79 4.24 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.60 4.09 0.00 2.03 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 2.42 2.30 0.00 114 S 9.03 4.13 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 0.00 115 N 8.12 4.52 0.00 2.83 2.95 0.00 0.00 5.80 7.13 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 0.00 116 K 8.36 4.63 0.00 1.78 1.83 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.36 1.34 7.81 117 Q 8.03 4.03 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 118 S 8.16 4.12 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 0.00 119 Q 7.58 4.29 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.87 0.00 0.00 0.00 0.00 0.00 2.63 2.33 0.00 120 F 8.69 4.28 0.00 3.11 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 0.00 121 E 7.31 4.89 0.00 1.81 1.69 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 2.25 2.09 0.00 122 W 7.97 3.26 0.00 3.20 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 0.00 123 K 7.97 4.30 0.00 2.10 2.04 0.00 1.54 0.00 0.00 1.78 0.00 0.00 3.36 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.41 7.81 124 T 7.62 4.54 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 0.00 125 S 8.33 4.47 0.00 3.65 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 0.00 126 P 0.00 4.31 0.00 2.07 2.00 0.00 3.86 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 127 F 7.28 4.96 0.00 2.57 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 0.00 0.00 0.00 0.00 128 Y 9.19 4.62 0.00 3.15 3.22 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 0.00 129 Q 8.84 5.37 0.00 2.41 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.58 0.00 130 Y 8.96 3.50 0.00 2.18 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 0.00 131 S 8.02 3.88 0.00 3.48 3.59 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 0.00 0.00 0.00 0.00 132 L 7.73 4.18 0.00 1.31 1.32 0.35 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 133 V 8.66 4.52 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 0.66 0.00 0.00 0.90 0.00 0.00 134 P 0.00 4.30 0.00 2.16 2.11 0.00 3.56 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 135 E 8.17 4.06 0.00 1.90 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 2.29 2.34 0.00 136 N 8.25 5.02 0.00 2.91 2.95 0.00 0.00 6.66 6.51 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 0.00 137 A 7.77 4.13 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 0.00 138 E 8.08 5.14 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 139 N 8.15 4.73 0.00 2.85 2.97 0.00 0.00 6.95 6.80 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 0.00 140 T 8.33 4.10 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 1.22 0.00 0.00 141 L 8.19 3.97 0.00 1.87 1.96 0.96 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 0.00 142 Q 9.07 4.14 0.00 2.32 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.59 0.00 0.00 0.00 0.00 0.00 2.75 2.54 0.00 143 F 8.51 4.07 0.00 3.14 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 0.00 144 G 8.79 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 D 8.71 4.38 0.00 3.01 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 0.00 146 F 8.39 4.17 0.00 3.38 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 0.00 147 L 7.82 3.45 0.00 1.35 1.40 0.75 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 148 A 8.15 3.76 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 0.00 149 K 7.90 3.81 0.00 1.72 1.71 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.59 7.81 150 I 6.72 3.40 1.33 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 -0.36 0.55 0.00 0.00 151 L 7.90 3.26 0.00 1.32 1.38 0.74 0.26 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 0.00 152 N 7.27 4.05 0.00 2.81 2.77 0.00 0.00 6.91 7.82 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 0.00 153 I 7.85 4.52 1.80 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.74 0.89 0.00 0.00 154 S 8.48 4.60 0.00 3.82 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 0.00 155 I 8.08 4.64 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.62 0.85 0.00 0.00 156 T 9.43 4.43 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 1.21 0.00 0.00 157 V 8.13 3.95 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 0.69 0.00 0.00 0.98 0.00 0.00 158 P 0.00 4.57 0.00 2.03 2.02 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 159 Q 7.71 4.59 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.65 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 *161 F 7.85 4.88 0.00 3.27 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 * Residues marked with a * may have inaccurate shift predictions.