NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3812 8.3344 115.4113 58.2084 64.1920 173.5065 2 M 4.2312 8.0893 118.6766 55.0756 30.4378 175.9829 3 Q 4.0919 8.0197 118.8332 58.1213 30.5238 176.0534 4 D 4.6828 7.2952 116.7953 51.3179 42.3181 173.3603 5 P 4.3608 0.0000 0.0000 65.8317 32.2447 178.7821 6 I 3.5775 8.1025 120.0886 64.0247 36.9071 177.5801 7 A 3.9267 8.3833 121.3561 55.4074 18.1052 178.8274 8 D 4.3319 7.7428 117.1559 56.9945 41.2251 178.3334 9 M 3.9314 7.9471 117.6560 58.7570 32.1999 177.5428 10 L 3.8774 7.6779 118.8010 58.1601 41.4288 179.6006 11 T 3.8024 8.2926 109.5393 65.2386 68.5463 176.4609 12 R 4.0143 8.5632 121.4867 58.9318 29.9378 178.6740 13 I 3.8383 7.6596 120.3600 63.7629 37.1705 178.1227 14 R 3.8901 7.9423 116.3466 59.7034 29.2956 178.4573 15 N 4.4008 8.2906 117.2271 55.9225 38.4277 177.5974 16 G 3.6057 7.8461 106.8846 48.1100 0.0000 175.5426 17 Q 4.0736 8.3170 119.8730 58.7115 28.7220 179.1117 18 A 4.2039 7.9404 120.6817 54.9521 18.6043 178.7729 19 A 4.3716 7.6857 115.4478 51.0023 19.5691 176.8243 20 N 4.2142 7.7328 116.0840 53.7394 35.8326 173.2178 21 K 4.6095 9.2270 118.9814 53.7567 35.5651 175.8991 22 A 3.9440 8.2067 123.4864 54.6490 19.2279 179.4695 23 A 5.1438 7.3715 122.6387 50.9643 21.3475 175.2327 24 V 4.5454 8.2211 111.8878 61.5466 34.9802 173.6974 25 T 4.8835 8.3411 120.3146 62.2161 70.8205 173.9934 26 M 4.4300 7.9573 121.1322 54.1126 33.5436 172.3826 27 P 5.1541 0.0000 0.0000 62.4860 31.8460 176.4535 28 S 4.4722 8.6646 119.8522 57.8931 64.3430 173.4347 29 S 4.6271 8.1116 114.3745 55.6361 66.7754 174.6121 30 K 3.8342 8.6333 122.6598 59.9614 31.8119 178.1526 31 L 3.9695 7.8240 119.4651 58.2718 42.2912 178.6188 32 K 3.7656 7.6606 118.3970 60.1249 31.9310 178.7882 33 V 3.3790 7.9286 118.2278 65.3271 31.5430 177.5207 34 A 3.9836 7.7847 118.7818 55.5648 18.3014 179.7949 35 I 3.5739 7.8766 117.5868 64.5410 37.1185 178.4952 36 A 3.8329 7.7123 121.5395 54.8810 18.0569 178.9580 37 N 4.2876 8.3006 115.8488 57.1508 39.1063 177.0764 38 V 3.7204 7.5978 118.8443 66.2186 31.4015 177.9368 39 L 4.2900 7.8114 118.0747 57.2961 41.2685 179.2778 40 K 4.2725 7.8702 119.5310 59.2132 32.3134 178.5712 41 E 4.0241 8.6251 117.4857 58.4434 29.5439 177.6308 42 E 4.3136 8.1171 116.0299 55.6554 31.2175 175.6398 43 G 3.5473 9.2813 107.0199 45.3290 0.0000 172.7584 44 F 5.2758 8.2075 115.2506 57.8413 45.0167 175.6104 45 I 4.3671 7.7216 110.7446 59.0878 39.8986 174.1543 46 E 3.8900 8.5200 125.5726 59.5880 29.0128 178.8208 47 D 4.7165 8.0879 118.3808 55.1355 45.6816 173.4937 48 F 5.7969 7.7050 111.6613 58.1061 40.3130 173.0130 49 K 4.7899 8.4306 120.4324 55.1157 36.4146 175.1552 50 V 4.9748 8.1748 122.2799 58.3878 31.4333 174.7957 51 E 4.0987 8.7610 129.9396 57.4707 31.5805 172.1422 52 G 4.3371 8.3426 116.7886 46.3702 0.0000 174.3492 53 D 4.4554 8.7189 124.5030 57.2062 41.7070 178.0617 54 T 3.9151 8.0106 111.9233 64.2354 67.3906 174.2322 55 K 4.4504 7.7047 123.7735 53.3651 33.5705 172.9934 56 P 4.8476 0.0000 0.0000 62.6159 32.3617 175.6119 57 E 5.1582 8.9536 124.9102 56.1005 33.1099 175.0752 58 L 4.6790 7.6159 121.8766 54.9766 44.1203 177.1353 59 E 4.4111 9.0163 132.7157 55.6242 27.7654 177.5342 60 L 4.2407 7.9494 121.8287 55.5532 43.3508 176.8412 61 T 4.6743 8.7987 124.7889 63.1550 69.6472 174.5608 62 L 4.5174 8.8247 127.2491 54.2891 42.7618 176.2306 63 K 4.8375 8.4394 122.8249 55.0797 35.3227 174.4016 64 Y 5.3015 8.6584 121.9319 56.4974 43.7783 175.7193 65 F 5.3870 9.0936 122.6510 59.0343 39.4239 177.8419 66 Q 4.4030 8.6272 125.4525 55.5103 27.6554 176.9873 67 G 4.0080 8.7471 116.3288 46.2224 0.0000 172.0691 68 K 4.6904 7.7509 119.4989 54.1197 35.7302 174.9660 69 A 4.7477 8.3989 124.0692 51.0347 19.7157 177.8388 70 V 3.7247 7.8956 121.9964 66.1273 31.6005 178.1030 71 V 3.8155 7.4171 122.4151 62.7390 29.1144 175.0219 72 E 4.0999 8.5095 124.0836 58.6428 30.3392 177.9436 73 S 4.5389 7.5337 109.8386 57.5244 65.7618 175.1748 74 I 4.6538 8.2482 126.5925 60.2717 40.5618 173.4716 75 Q 4.7055 8.5590 127.4006 53.7292 33.1241 174.8415 76 R 3.7636 8.4560 121.2632 56.9302 30.5549 174.0897 77 V 3.8883 8.3624 120.4933 63.3042 33.3972 176.1688 78 S 4.3031 7.3932 119.0155 57.1983 61.9075 174.4297 79 R 3.9891 7.5335 116.7961 55.4004 29.9949 174.4806 80 P 4.3224 0.0000 0.0000 63.0207 31.9239 176.4991 81 G 4.0521 8.5346 103.9945 45.7560 0.0000 173.7452 82 L 4.5322 7.0946 114.6525 54.4712 44.4122 173.5859 83 R 4.0639 7.8074 119.7040 56.5454 31.6352 176.9833 84 I 4.5559 8.3209 119.9567 60.3484 41.1336 173.9792 85 Y 5.0104 8.8417 124.5280 56.0295 40.6577 175.3585 86 K 4.8092 8.4878 121.0751 54.6998 36.7182 176.3181 87 R 4.5474 8.4279 121.5462 54.4948 31.6695 177.5725 88 K 3.8312 8.7102 118.6358 60.0396 32.0754 177.1537 89 D 4.9011 7.9252 116.5571 52.9855 39.8208 176.5367 90 E 4.4683 8.6180 121.4913 57.1162 31.7156 175.9159 91 L 3.8568 8.1966 117.9632 54.5625 41.7671 175.3736 92 P 4.4463 0.0000 0.0000 62.1883 32.2831 175.9416 93 K 4.2508 7.9260 117.1308 53.9071 33.1575 176.3007 94 V 3.1627 8.0547 124.2255 64.3283 32.2461 175.8245 95 M 3.0182 9.3702 127.5435 57.4624 30.3879 176.3767 96 A 3.9355 9.1159 114.6083 53.1227 17.1210 177.5271 97 G 4.0532 8.0642 109.6151 47.4888 0.0000 176.5099 98 L 4.2686 8.1547 117.4240 55.5979 41.4202 175.9588 99 G 4.5342 7.6612 106.1774 44.3008 0.0000 171.9456 100 I 4.8432 8.9942 112.1149 58.9500 41.1581 174.8722 101 A 5.1642 8.8565 125.5932 48.7107 20.8966 174.8610 102 V 3.9111 8.3570 121.2559 64.0513 32.7645 174.8202 103 V 4.8538 8.7626 127.6610 61.1161 35.0846 173.9978 104 S 4.7933 9.3393 123.4297 57.5259 63.5900 173.0717 105 T 4.9481 8.8444 117.5937 59.4996 71.9098 174.9794 106 S 4.3887 8.8093 114.1811 59.4980 62.2718 174.1012 107 K 4.3898 9.1816 117.2750 56.6289 33.3883 175.5607 108 G 4.2847 6.8758 105.8325 43.3383 0.0000 173.1842 109 V 4.7336 7.6229 120.3086 60.5045 31.0342 174.8439 110 M 4.9018 7.8811 128.4756 54.0155 34.4288 175.3883 111 T 4.6764 8.1420 111.8937 61.2266 72.0296 175.2446 112 D 4.2641 8.2064 121.0822 56.7486 39.2087 178.2274 113 R 3.8618 8.1158 120.3391 58.9156 29.9175 177.6115 114 A 3.9607 7.7624 119.8233 55.4376 18.3020 179.4022 115 A 3.9583 7.9721 118.8628 55.1877 18.3862 179.7647 116 R 3.8057 8.6943 117.4967 59.8738 30.0357 178.7651 117 Q 3.9795 8.1505 116.4664 58.9513 28.8080 178.5585 118 A 4.1578 7.8989 120.8269 53.2414 18.3931 177.8122 119 G 3.8506 8.9834 105.1003 45.6857 0.0000 173.1867 120 L 4.7255 7.6417 118.0710 53.8295 43.6687 176.0444 121 G 4.0421 8.5191 109.0963 45.2754 0.0000 172.1069 122 G 4.4625 8.0154 105.2525 45.5477 0.0000 172.7183 123 E 4.0407 8.3504 121.7533 56.1536 30.4778 176.6939 124 I 4.1506 7.9268 127.6039 61.8458 38.1007 174.8359 125 I 4.5345 8.8090 121.4339 62.2665 39.4515 175.7055 126 C 4.9031 7.7190 113.6177 56.7539 33.4196 172.1438 127 Y 5.4454 7.5425 113.9318 55.6474 36.5783 177.2599 128 V 3.5318 7.6926 119.3317 62.9608 33.1827 176.5238 129 A 4.2629 8.8045 129.7098 52.2741 17.8212 176.9103 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 S 8.33 4.38 0.00 3.99 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 2 M 8.09 4.23 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.67 0.00 3 Q 8.02 4.09 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 4 D 7.30 4.68 0.00 2.75 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 5 P 0.00 4.36 0.00 2.23 2.27 0.00 3.75 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 2.04 1.97 0.00 6 I 8.10 3.58 1.92 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 1.53 1.33 0.85 0.00 0.00 7 A 8.38 3.93 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 8 D 7.74 4.33 0.00 2.69 2.85 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 9 M 7.95 3.93 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.58 0.00 10 L 7.68 3.88 0.00 1.80 1.64 0.84 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.29 3.80 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 12 R 8.56 4.01 0.00 2.10 2.03 0.00 3.45 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 13 I 7.66 3.84 2.06 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.69 0.84 0.00 0.00 14 R 7.94 3.89 0.00 1.96 2.16 0.00 2.77 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 15 N 8.29 4.40 0.00 2.83 2.92 0.00 0.00 6.94 6.93 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 16 G 7.85 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.32 4.07 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 18 A 7.94 4.20 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 19 A 7.69 4.37 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 20 N 7.73 4.21 0.00 2.79 2.73 0.00 0.00 6.68 7.50 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 21 K 9.23 4.61 0.00 1.75 1.72 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.40 7.81 22 A 8.21 3.94 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 A 7.37 5.14 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 24 V 8.22 4.55 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 0.73 0.00 0.00 0.94 0.00 0.00 25 T 8.34 4.88 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 26 M 7.96 4.43 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 27 P 0.00 5.15 0.00 2.09 2.13 0.00 3.36 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.80 0.00 28 S 8.66 4.47 0.00 3.99 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 29 S 8.11 4.63 0.00 4.00 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 30 K 8.63 3.83 0.00 1.84 1.87 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.55 7.81 31 L 7.82 3.97 0.00 1.78 1.61 0.90 0.61 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 32 K 7.66 3.77 0.00 2.02 1.82 0.00 1.84 0.00 0.00 1.54 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.45 7.81 33 V 7.93 3.38 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 0.82 0.00 0.00 0.99 0.00 0.00 34 A 7.78 3.98 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 35 I 7.88 3.57 1.93 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 1.41 1.03 0.86 0.00 0.00 36 A 7.71 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.30 4.29 0.00 2.77 3.07 0.00 0.00 6.81 7.58 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 38 V 7.60 3.72 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 1.03 0.00 0.00 1.05 0.00 0.00 39 L 7.81 4.29 0.00 1.93 1.82 0.86 0.72 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 40 K 7.87 4.27 0.00 2.07 2.27 0.00 1.76 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.54 7.81 41 E 8.63 4.02 0.00 1.98 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 2.64 2.51 0.00 42 E 8.12 4.31 0.00 2.29 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 43 G 9.28 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 44 F 8.21 5.28 0.00 3.09 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 45 I 7.72 4.37 2.14 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.69 0.98 0.00 0.00 46 E 8.52 3.89 0.00 1.90 1.97 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 2.37 2.51 0.00 47 D 8.09 4.72 0.00 2.63 2.37 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 48 F 7.70 5.80 0.00 2.98 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 49 K 8.43 4.79 0.00 1.84 1.73 0.00 1.55 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.62 1.53 7.81 50 V 8.17 4.97 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 1.08 0.00 0.00 0.99 0.00 0.00 51 E 8.76 4.10 0.00 2.41 1.87 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 2.32 2.42 0.00 52 G 8.34 4.34 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 0.00 53 D 8.72 4.46 0.00 2.68 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 54 T 8.01 3.92 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 55 K 7.70 4.45 0.00 1.81 1.71 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.38 7.81 56 P 0.00 4.85 0.00 2.12 2.20 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.85 0.00 57 E 8.95 5.16 0.00 2.06 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 0.00 2.25 2.28 0.00 58 L 7.62 4.68 0.00 1.88 1.58 0.85 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 59 E 9.02 4.41 0.00 2.04 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 0.00 2.36 2.29 0.00 60 L 7.95 4.24 0.00 1.85 1.61 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.80 4.67 4.32 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 0.00 0.00 0.00 1.28 0.00 0.00 62 L 8.82 4.52 0.00 2.07 1.61 0.95 0.89 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 63 K 8.44 4.84 0.00 1.93 1.77 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.50 7.81 64 Y 8.66 5.30 0.00 2.95 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 65 F 9.09 5.39 0.00 2.86 2.41 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 66 Q 8.63 4.40 0.00 1.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.86 0.00 0.00 0.00 0.00 0.00 2.24 2.15 0.00 67 G 8.75 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 0.00 0.00 0.00 68 K 7.75 4.69 0.00 1.87 1.71 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.49 7.81 69 A 8.40 4.75 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 70 V 7.90 3.72 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 0.90 0.00 0.00 0.97 0.00 0.00 71 V 7.42 3.82 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 0.64 0.00 0.00 0.86 0.00 0.00 72 E 8.51 4.10 0.00 2.13 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 2.27 2.26 0.00 73 S 7.53 4.54 0.00 3.85 3.65 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 0.00 0.00 0.00 0.00 74 I 8.25 4.65 1.68 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.68 0.81 0.00 0.00 75 Q 8.56 4.71 0.00 2.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 76 R 8.46 3.76 0.00 1.72 1.73 0.00 3.34 0.00 0.00 3.06 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 77 V 8.36 3.89 1.76 0.00 0.00 0.00 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 -0.26 0.00 0.00 78 S 7.39 4.30 0.00 3.68 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 79 R 7.53 3.99 0.00 1.90 1.87 0.00 3.04 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 80 P 0.00 4.32 0.00 2.22 2.22 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 81 G 8.53 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 0.00 0.00 0.00 82 L 7.09 4.53 0.00 1.49 1.51 0.89 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 83 R 7.81 4.06 0.00 2.04 1.76 0.00 3.53 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 84 I 8.32 4.56 1.71 0.00 0.00 0.76 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 1.10 0.88 0.00 0.00 85 Y 8.84 5.01 0.00 2.78 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 0.00 86 K 8.49 4.81 0.00 1.77 1.69 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.57 7.81 87 R 8.43 4.55 0.00 1.89 1.87 0.00 3.17 0.00 0.00 3.41 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 88 K 8.71 3.83 0.00 1.86 1.99 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 89 D 7.93 4.90 0.00 2.78 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 90 E 8.62 4.47 0.00 1.85 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 91 L 8.20 3.86 0.00 1.67 1.66 0.93 1.05 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 92 P 0.00 4.45 0.00 1.96 2.07 0.00 3.74 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 1.90 2.13 0.00 93 K 7.93 4.25 0.00 1.65 1.71 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.33 7.81 94 V 8.05 3.16 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 1.01 0.00 0.00 0.58 0.00 0.00 95 M 9.37 3.02 0.00 2.27 1.98 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 2.58 2.51 0.00 96 A 9.12 3.94 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 97 G 8.06 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 0.00 0.00 0.00 98 L 8.15 4.27 0.00 1.72 1.73 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.66 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.99 4.84 1.98 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 1.51 1.00 1.14 0.00 0.00 101 A 8.86 5.16 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 0.00 102 V 8.36 3.91 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 0.92 0.00 0.00 0.95 0.00 0.00 103 V 8.76 4.85 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.02 0.00 0.00 104 S 9.34 4.79 0.00 3.87 3.71 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 0.00 105 T 8.84 4.95 4.26 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 1.23 0.00 0.00 106 S 8.81 4.39 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 0.00 107 K 9.18 4.39 0.00 1.78 1.80 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.49 7.81 108 G 6.88 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 0.00 0.00 0.00 0.00 109 V 7.62 4.73 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 1.13 0.00 0.00 0.93 0.00 0.00 110 M 7.88 4.90 0.00 2.15 1.95 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 2.59 2.56 0.00 111 T 8.14 4.68 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 1.24 0.00 0.00 112 D 8.21 4.26 0.00 2.86 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 0.00 113 R 8.12 3.86 0.00 1.85 1.99 0.00 3.35 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 114 A 7.76 3.96 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.97 3.96 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 0.00 116 R 8.69 3.81 0.00 1.97 2.12 0.00 3.10 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 117 Q 8.15 3.98 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 118 A 7.90 4.16 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 0.00 119 G 8.98 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 0.00 0.00 0.00 120 L 7.64 4.73 0.00 1.56 1.60 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.52 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 0.00 122 G 8.02 4.46 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 0.00 123 E 8.35 4.04 0.00 1.84 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 2.00 1.47 0.00 124 I 7.93 4.15 1.78 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 1.28 0.63 0.97 0.00 0.00 125 I 8.81 4.53 2.01 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 1.24 0.53 0.85 0.00 0.00 126 C 7.72 4.90 0.00 2.96 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 0.00 127 Y 7.54 5.45 0.00 2.78 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 0.00 128 V 7.69 3.53 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 -0.21 0.00 0.00 0.76 0.00 0.00 129 A 8.80 4.26 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