NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1387 8.0549 114.0565 60.8933 33.0351 175.1010 2 L 4.0054 8.1845 122.8113 52.5539 42.2616 176.2926 3 S 4.4879 9.0420 117.9131 57.7641 66.1019 174.8603 4 E 4.2449 8.8471 122.7121 59.5504 29.3779 179.0314 5 G 3.6789 8.1553 105.2262 47.8838 0.0000 175.2846 6 E 3.9133 8.3253 120.9250 59.0250 29.3930 179.4734 7 W 4.3981 8.2491 119.0715 59.9987 29.0270 178.6242 8 Q 4.1429 8.7026 118.3907 58.9149 27.9940 178.7631 9 L 4.0574 8.1211 120.1682 57.6371 41.5452 179.6923 10 V 3.7726 8.0417 118.1765 66.2924 31.5925 178.2096 11 L 4.2119 8.5609 118.9226 57.6616 41.2265 178.9159 12 H 4.1867 8.4005 118.0782 59.3302 30.1543 177.2152 13 V 3.6822 7.7751 120.2325 65.7064 31.3431 177.8441 14 W 3.8755 8.7691 128.1570 60.1531 30.2660 177.7470 15 A 4.2624 7.9811 121.4952 54.2394 17.8481 179.4919 16 K 3.9127 7.8235 117.4003 59.4691 32.0802 179.5152 17 V 2.6457 7.0204 117.9428 65.8258 30.9177 177.7822 18 E 3.8810 8.0329 117.7993 59.0090 28.9649 179.1393 19 A 4.0919 7.3977 120.4379 54.1780 19.7539 177.7019 20 D 4.6674 7.9296 116.1738 52.3005 42.8895 175.5483 21 V 3.5470 7.9361 123.2844 65.5669 32.1019 176.6667 22 A 4.0623 8.0242 120.1564 55.2534 18.2577 179.7477 23 G 3.5787 8.4027 105.5387 47.6518 0.0000 175.6845 24 H 4.1396 8.3017 118.8252 58.4614 28.6301 178.0856 25 G 3.5638 8.4417 107.9454 47.8064 0.0000 175.7231 26 Q 3.8879 8.1113 120.4894 58.7996 28.7227 178.6344 27 D 4.2704 7.9463 119.7431 57.4032 40.7572 179.0832 28 I 3.6358 7.8917 120.3511 64.4162 37.0679 178.5732 29 L 3.4221 7.8050 119.8194 57.5529 41.2395 179.6573 30 I 3.6123 7.7091 119.9439 64.2030 36.9190 178.4327 31 R 3.7596 7.9999 119.6284 59.1694 29.8499 178.0552 32 L 3.8968 7.8512 120.3393 58.5428 41.9849 179.1870 33 F 4.5309 7.9566 117.8974 60.2400 38.5445 177.8953 34 K 4.0462 8.2205 118.3434 60.0566 32.6818 179.2496 35 S 4.2414 8.1617 115.7172 60.0581 64.2181 174.4393 36 H 4.7456 8.1841 118.2109 52.1888 29.3660 171.9931 37 P 4.7197 0.0000 0.0000 64.5145 31.4916 177.6493 38 E 4.0979 8.2690 116.5471 59.5233 29.3734 179.1183 39 T 3.7732 8.1401 111.2195 64.5546 68.7245 176.1969 40 L 3.7566 8.0601 123.0189 57.8138 41.7702 178.6020 41 E 4.1491 7.9294 117.0907 58.5619 29.4271 178.7386 42 K 4.4117 8.1289 117.6697 57.1135 32.6417 177.3607 43 F 4.5600 8.1802 118.9896 55.7966 39.2454 175.7752 44 D 4.4081 8.5449 124.7300 57.4173 40.7997 178.6623 45 R 3.9394 7.6583 116.7349 57.7220 30.3655 176.9887 46 F 5.0879 7.7916 115.6380 56.9805 40.8007 177.0108 47 K 4.0780 8.1042 119.1283 58.7746 32.6537 177.5862 48 H 4.4156 8.1419 114.4111 57.1842 29.0511 175.6218 49 L 4.1321 7.6270 121.8337 54.8655 41.7048 176.9682 50 K 4.3467 9.3771 123.3770 57.4944 33.3953 177.1655 51 T 4.7334 7.3149 107.6611 58.7830 73.2437 174.0943 52 E 3.9056 8.7668 121.6950 59.4327 29.6065 178.8361 53 A 3.9876 7.9519 120.2518 55.3414 18.2751 179.3286 54 E 3.9450 7.9680 115.8654 59.6729 29.7285 179.2189 55 M 4.1672 8.0070 118.7843 58.4431 31.8448 179.0169 56 K 3.9763 8.4032 117.4278 58.9838 32.2908 178.4747 57 A 4.4752 7.7064 118.5818 51.7427 19.0741 177.1407 58 S 4.3258 7.4942 113.4387 57.3753 62.4689 174.6244 59 E 4.0575 8.8192 128.9230 59.5150 29.2323 179.0108 60 D 4.5010 8.1339 118.7327 57.1208 40.9791 178.3025 61 L 3.1954 8.1789 121.1963 57.5986 42.1290 178.8055 62 K 3.8151 7.9633 119.6201 59.5765 32.1360 178.8380 63 K 4.0119 8.2235 118.6599 59.8157 31.8858 178.8606 64 H 4.4103 8.5556 118.7269 59.1297 29.7602 177.5031 65 G 3.5589 8.2946 107.8193 47.6950 0.0000 175.8093 66 V 3.6034 7.7178 120.0874 66.0261 31.6629 178.1161 67 T 3.8801 7.9088 115.4514 66.6967 68.2942 176.6200 68 V 3.6024 7.9326 120.0662 66.2483 31.5729 178.1632 69 L 4.2282 8.1853 118.5572 57.7114 41.4882 179.6007 70 T 3.9161 8.3782 116.2485 66.5669 68.4329 176.3879 71 A 3.9671 7.9011 122.2722 55.1662 18.3866 179.4803 72 L 3.7195 8.1767 119.1471 58.0141 42.0360 179.3490 73 G 3.3276 8.5114 105.9323 47.6593 0.0000 175.5281 74 A 3.9493 7.6716 122.0525 54.7500 18.7646 179.4916 75 I 3.7504 7.5503 118.2472 64.6094 37.1641 178.6409 76 L 3.9563 7.8493 120.0375 57.7488 41.1813 179.7949 77 K 3.8875 7.8573 117.1574 58.7579 32.2295 178.9367 78 K 3.9285 7.7282 117.7008 56.2857 32.2423 176.8244 79 K 2.0000 8.3284 118.1201 56.3163 29.8032 175.8540 80 G 3.9680 7.9640 106.5724 45.7791 0.0000 174.1660 81 H 4.6337 7.4119 119.0145 55.4549 27.7419 174.9848 82 H 5.5337 7.2062 109.9676 54.6903 29.2307 176.8656 83 E 3.9819 8.4732 121.9002 60.3840 29.0081 178.8521 84 A 4.0778 7.9026 118.9148 55.2212 17.6653 179.0945 85 E 4.0906 8.1527 116.6766 59.4114 29.5752 179.1771 86 L 4.2950 8.1049 118.7245 56.8952 41.7161 179.2550 87 K 3.9619 7.7194 118.2902 59.1356 32.0483 177.4455 88 P 4.3297 0.0000 0.0000 65.6184 31.3368 178.2215 89 L 4.0027 7.5520 120.2274 57.9715 42.0251 178.7407 90 A 4.1964 8.4316 121.1961 55.2443 18.2960 179.3723 91 Q 3.9160 8.2538 118.2723 59.3329 29.1078 178.6809 92 S 3.9957 8.2547 115.3286 61.9304 63.0107 176.2142 93 H 4.1923 8.6538 119.7897 57.9972 28.1970 177.7754 94 A 2.6627 8.1424 122.5179 54.6382 18.3298 179.0385 95 T 3.9398 7.5099 112.2758 64.8482 69.2941 176.0995 96 K 4.0988 7.4358 119.7604 58.7365 32.9276 177.2284 97 H 4.2792 8.0504 114.9482 56.2423 29.4274 175.5013 98 K 3.1078 7.4880 117.3641 56.9330 28.4085 175.3163 99 I 4.3340 7.9930 118.6349 58.8054 38.1080 174.9108 100 P 4.6171 0.0000 0.0000 62.0812 32.0464 177.7299 101 I 3.7199 8.6079 122.3093 64.7086 36.9514 178.9766 102 K 3.9973 7.7736 120.2277 59.5627 32.3042 178.6559 103 Y 4.2101 7.9755 117.8786 60.6695 37.8268 177.9406 104 L 4.2223 7.9397 119.7062 57.6187 41.2256 179.1350 105 E 4.0259 8.3954 119.1041 59.4352 29.4296 179.2605 106 F 4.7311 7.9028 117.7952 60.9072 38.8997 177.6421 107 I 3.9018 8.2351 118.1143 63.9133 37.7777 178.0901 108 S 4.2237 8.3486 116.3692 61.6790 62.6022 176.4319 109 E 4.0807 8.6711 121.2333 59.3776 29.1359 179.3262 110 A 4.0317 8.1915 120.8178 55.0711 18.3591 179.6036 111 I 3.6762 8.1374 118.6554 64.7682 37.2046 178.7057 112 I 3.7884 7.9331 120.4073 64.5425 36.9173 177.6809 113 H 4.1009 8.5757 119.4891 59.6064 29.5853 177.4008 114 V 3.4776 8.0257 119.7773 65.8475 31.3751 177.8565 115 L 3.7329 7.9533 118.9765 58.0673 41.1193 179.0917 116 H 4.4179 8.0674 117.0635 59.0863 29.8602 177.0448 117 S 4.1141 7.8769 114.2722 61.5844 62.3951 176.1259 118 R 3.9945 7.9804 119.2734 57.6507 31.3729 176.6029 119 H 5.0306 7.9157 115.2130 53.7716 29.0499 173.0809 120 P 4.2243 0.0000 0.0000 65.2121 31.5987 177.9059 121 G 4.0279 7.9769 104.9520 45.5861 0.0000 172.8966 122 D 4.8851 7.9457 119.5177 52.9997 41.8783 176.0807 123 F 5.0188 8.0266 117.0971 56.0632 40.3177 173.3340 124 G 3.9259 7.6251 110.9074 43.2471 0.0000 170.6904 125 A 3.8909 8.3050 120.5453 55.3228 18.3349 179.7124 126 D 4.2010 7.9379 116.6568 57.3483 40.9468 178.6802 127 A 3.9386 7.7189 120.8119 55.1819 18.4323 179.3224 128 Q 3.6112 7.9178 118.6119 58.9155 28.9382 178.5956 129 G 3.5530 8.3275 107.0611 47.7451 0.0000 175.5745 130 A 3.8509 8.0403 123.3409 54.8610 18.3151 179.3690 131 M 3.9854 8.2301 116.8290 58.7988 32.3737 177.7911 132 N 4.2840 8.5831 117.6117 56.8138 39.1191 176.7061 133 K 3.9691 8.2787 120.8022 59.2945 32.2164 178.6973 134 A 3.8705 8.0364 121.2850 55.0907 18.2149 179.6707 135 L 4.1211 8.2339 117.6963 57.8166 41.5933 179.5047 136 E 3.9705 8.7254 119.1853 59.2322 29.3174 179.1410 137 L 3.9484 8.0354 120.3374 58.0382 42.1261 178.5413 138 F 4.1382 8.3956 120.6154 61.7134 39.1993 177.4270 139 R 3.3985 8.2642 117.6347 58.6525 29.7854 178.9018 140 K 3.8005 8.2477 119.8690 59.7757 32.2373 178.6753 141 D 4.3397 8.2082 119.1873 57.2092 40.7391 178.8331 142 I 3.3860 7.6661 120.5351 64.1366 36.9769 178.2646 143 A 3.7615 7.9451 121.6887 55.0047 18.1321 179.5669 144 A 3.9250 7.9282 119.3067 55.1375 18.4591 179.8426 145 K 3.9529 8.0180 118.2341 59.6346 32.2494 178.4401 146 Y 4.4741 8.5712 117.5844 61.2949 37.9767 178.8361 147 K 3.9692 8.1709 120.1653 59.6976 32.1257 178.6610 148 E 4.0395 8.0285 117.5819 59.2262 29.4609 178.6924 149 L 4.3395 7.8599 116.8832 55.2896 42.0342 177.7965 150 G 3.9508 7.9340 106.9206 45.0857 0.0000 172.3218 151 Y 4.7306 7.7194 120.9159 55.5413 39.9242 175.7032 152 Q 3.8054 8.5533 126.7103 56.9314 29.3944 176.5494 153 G 3.4541 5.9121 110.7573 45.6243 0.0000 173.1202 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 V 8.05 4.14 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 0.92 0.00 0.00 0.96 0.00 0.00 2 L 8.18 4.01 0.00 0.86 0.72 0.63 -0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.04 4.49 0.00 4.04 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 4 E 8.85 4.24 0.00 2.20 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 2.44 2.52 0.00 5 G 8.16 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 6 E 8.33 3.91 0.00 1.93 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 7 W 8.25 4.40 0.00 3.57 3.18 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 8 Q 8.70 4.14 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.69 2.61 0.00 9 L 8.12 4.06 0.00 1.91 1.75 0.94 0.67 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 10 V 8.04 3.77 2.50 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 1.30 0.00 0.00 0.91 0.00 0.00 11 L 8.56 4.21 0.00 1.84 1.81 0.95 1.03 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 12 H 8.40 4.19 0.00 3.23 3.50 0.00 5.95 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.78 3.68 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 0.91 0.00 0.00 1.23 0.00 0.00 14 W 8.77 3.88 0.00 3.64 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 15 A 7.98 4.26 1.39 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 16 K 7.82 3.91 0.00 1.58 1.54 0.00 1.35 0.00 0.00 1.11 0.00 0.00 2.74 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.27 1.40 7.81 17 V 7.02 2.65 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 -0.20 0.00 0.00 18 E 8.03 3.88 0.00 2.14 1.96 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 2.39 2.53 0.00 19 A 7.40 4.09 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.93 4.67 0.00 2.70 2.50 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 0.00 21 V 7.94 3.55 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 1.05 0.00 0.00 0.90 0.00 0.00 22 A 8.02 4.06 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 23 G 8.40 3.58 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 0.00 0.00 0.00 24 H 8.30 4.14 0.00 3.22 3.20 0.00 5.82 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 25 G 8.44 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 0.00 0.00 0.00 0.00 26 Q 8.11 3.89 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.51 0.00 27 D 7.95 4.27 0.00 2.77 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 28 I 7.89 3.64 1.87 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 1.51 0.73 0.89 0.00 0.00 29 L 7.80 3.42 0.00 1.35 0.94 0.78 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.71 3.61 1.86 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 1.39 0.71 0.92 0.00 0.00 31 R 8.00 3.76 0.00 1.93 2.06 0.00 2.99 0.00 0.00 2.73 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 32 L 7.85 3.90 0.00 1.72 1.42 1.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.96 4.53 0.00 3.02 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 34 K 8.22 4.05 0.00 1.85 2.08 0.00 1.41 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.61 7.81 35 S 8.16 4.24 0.00 3.76 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 36 H 8.18 4.75 0.00 2.98 2.72 0.00 5.63 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 37 P 0.00 4.72 0.00 2.15 2.10 0.00 3.83 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 1.99 0.00 38 E 8.27 4.10 0.00 2.31 2.31 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 2.31 2.57 0.00 39 T 8.14 3.77 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 0.81 0.00 0.00 40 L 8.06 3.76 0.00 1.37 1.74 -0.31 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.93 4.15 0.00 2.21 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 2.39 2.54 0.00 42 K 8.13 4.41 0.00 1.82 1.67 0.00 1.89 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.71 1.92 7.81 43 F 8.18 4.56 0.00 3.27 3.06 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 44 D 8.54 4.41 0.00 2.58 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 45 R 7.66 3.94 0.00 0.67 1.33 0.00 2.92 0.00 0.00 3.10 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 46 F 7.79 5.09 0.00 2.92 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 47 K 8.10 4.08 0.00 2.01 2.24 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.45 7.81 48 H 8.14 4.42 0.00 3.31 3.47 0.00 5.53 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.63 4.13 0.00 1.57 1.57 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.38 4.35 0.00 1.76 1.84 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.50 7.81 51 T 7.31 4.73 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 52 E 8.77 3.91 0.00 2.04 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 2.36 2.36 0.00 53 A 7.95 3.99 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 54 E 7.97 3.95 0.00 2.11 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 0.00 2.35 2.35 0.00 55 M 8.01 4.17 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.59 0.00 56 K 8.40 3.98 0.00 1.80 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.55 7.81 57 A 7.71 4.48 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 58 S 7.49 4.33 0.00 3.95 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 59 E 8.82 4.06 0.00 2.05 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 0.00 2.41 2.36 0.00 60 D 8.13 4.50 0.00 2.98 3.06 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 61 L 8.18 3.20 0.00 1.21 1.56 -0.05 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.96 3.82 0.00 1.84 1.96 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.46 7.81 63 K 8.22 4.01 0.00 2.12 1.92 0.00 1.94 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.75 7.81 64 H 8.56 4.41 0.00 3.65 3.45 0.00 5.79 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 65 G 8.29 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 0.00 0.00 0.00 0.00 66 V 7.72 3.60 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 1.13 0.00 0.00 0.98 0.00 0.00 67 T 7.91 3.88 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 1.29 0.00 0.00 68 V 7.93 3.60 2.20 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 1.17 0.00 0.00 0.94 0.00 0.00 69 L 8.19 4.23 0.00 1.80 1.89 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.38 3.92 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 1.25 0.00 0.00 71 A 7.90 3.97 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 72 L 8.18 3.72 0.00 1.60 1.62 0.24 0.81 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 73 G 8.51 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 0.00 0.00 0.00 74 A 7.67 3.95 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 75 I 7.55 3.75 1.81 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 1.52 0.97 0.84 0.00 0.00 76 L 7.85 3.96 0.00 1.31 1.55 -0.27 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.86 3.89 0.00 1.63 1.80 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.57 7.81 78 K 7.73 3.93 0.00 1.90 1.74 0.00 1.89 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.76 7.81 79 K 8.33 2.00 0.00 1.18 0.74 0.00 1.39 0.00 0.00 1.49 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.40 0.98 7.81 80 G 7.96 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 0.00 0.00 0.00 81 H 7.41 4.63 0.00 3.17 3.22 0.00 5.62 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 82 H 7.21 5.53 0.00 3.29 3.45 0.00 5.65 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 83 E 8.47 3.98 0.00 2.10 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 0.00 2.42 2.47 0.00 84 A 7.90 4.08 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 85 E 8.15 4.09 0.00 2.25 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 2.39 2.47 0.00 86 L 8.10 4.29 0.00 1.73 1.70 0.79 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.72 3.96 0.00 2.00 1.88 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.67 7.81 88 P 0.00 4.33 0.00 2.30 2.33 0.00 3.96 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 2.11 2.05 0.00 89 L 7.55 4.00 0.00 2.02 1.77 0.93 1.10 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 90 A 8.43 4.20 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.25 3.92 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 92 S 8.25 4.00 0.00 3.97 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 93 H 8.65 4.19 0.00 3.60 3.64 0.00 5.81 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 94 A 8.14 2.66 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.51 3.94 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 1.12 0.00 0.00 96 K 7.44 4.10 0.00 1.55 1.66 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.25 1.36 7.81 97 H 8.05 4.28 0.00 3.01 3.14 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.49 3.11 0.00 1.80 1.76 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.09 1.21 7.81 99 I 7.99 4.33 2.13 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.98 1.19 0.00 0.00 100 P 0.00 4.62 0.00 1.82 1.83 0.00 2.94 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.87 0.00 101 I 8.61 3.72 1.82 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.93 0.86 0.00 0.00 102 K 7.77 4.00 0.00 1.56 1.89 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.33 1.17 7.81 103 Y 7.98 4.21 0.00 3.24 3.11 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 0.00 104 L 7.94 4.22 0.00 1.83 1.81 0.75 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.40 4.03 0.00 2.04 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 2.32 2.43 0.00 106 F 7.90 4.73 0.00 3.21 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 0.00 107 I 8.24 3.90 2.04 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 1.15 0.00 0.00 108 S 8.35 4.22 0.00 4.20 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 0.00 109 E 8.67 4.08 0.00 2.33 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 0.00 2.44 2.58 0.00 110 A 8.19 4.03 1.39 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 0.00 111 I 8.14 3.68 2.14 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.83 1.10 0.00 0.00 112 I 7.93 3.79 2.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.81 1.13 0.00 0.00 113 H 8.58 4.10 0.00 3.32 3.56 0.00 5.78 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 0.00 114 V 8.03 3.48 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 0.95 0.00 0.00 0.95 0.00 0.00 115 L 7.95 3.73 0.00 1.02 0.47 0.82 0.95 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 0.00 116 H 8.07 4.42 0.00 3.52 3.62 0.00 5.76 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.88 4.11 0.00 3.80 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 0.00 118 R 7.98 3.99 0.00 1.54 1.47 0.00 3.09 0.00 0.00 2.93 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 119 H 7.92 5.03 0.00 3.23 3.18 0.00 5.63 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 0.00 120 P 0.00 4.22 0.00 2.15 2.14 0.00 3.80 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 121 G 7.98 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 7.95 4.89 0.00 2.66 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 0.00 123 F 8.03 5.02 0.00 2.91 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.63 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 0.00 125 A 8.30 3.89 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.94 4.20 0.00 2.64 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.72 3.94 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 0.00 128 Q 7.92 3.61 0.00 1.18 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 129 G 8.33 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.04 3.85 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 0.00 131 M 8.23 3.99 0.00 2.50 2.35 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.86 0.00 132 N 8.58 4.28 0.00 2.86 2.95 0.00 0.00 6.90 6.50 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 0.00 133 K 8.28 3.97 0.00 1.90 1.74 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.37 7.81 134 A 8.04 3.87 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 0.00 135 L 8.23 4.12 0.00 1.77 1.84 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.73 3.97 0.00 2.15 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 2.34 2.63 0.00 137 L 8.04 3.95 0.00 1.87 1.95 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.40 4.14 0.00 3.10 3.30 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 0.00 139 R 8.26 3.40 0.00 1.82 1.82 0.00 3.17 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 1.59 1.96 0.00 140 K 8.25 3.80 0.00 1.82 2.00 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.45 7.81 141 D 8.21 4.34 0.00 2.69 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 0.00 142 I 7.67 3.39 1.14 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 -0.36 -0.04 0.00 0.00 143 A 7.95 3.76 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.93 3.92 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 0.00 145 K 8.02 3.95 0.00 1.89 1.93 0.00 1.58 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.59 7.81 146 Y 8.57 4.47 0.00 3.08 3.19 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 0.00 147 K 8.17 3.97 0.00 1.87 2.03 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 8.03 4.04 0.00 2.20 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 2.36 2.53 0.00 149 L 7.86 4.34 0.00 1.87 1.73 1.06 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.93 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 0.00 151 Y 7.72 4.73 0.00 2.62 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 0.00 152 Q 8.55 3.81 0.00 1.86 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.94 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 153 G 5.91 3.45 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 0.00