NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 C 5.0192 8.2976 118.1047 56.3659 41.8439 172.4944 4 S 4.4415 7.9065 110.9559 55.3900 66.1889 168.1311 5 V 4.4471 8.2604 119.5735 60.3400 35.2092 174.3446 6 D 5.1439 8.5184 122.5992 52.9731 42.4640 175.6687 7 I 4.8303 8.6737 122.8370 59.3190 41.9904 173.7513 8 Q 5.2763 9.6051 126.6913 54.0816 32.4869 174.6525 9 G 4.4187 9.1423 109.5359 44.5451 0.0000 171.9428 10 N 5.8200 8.1690 121.5730 50.2711 40.3977 174.8229 11 D 4.5462 8.9045 116.9492 56.7074 41.1002 177.0497 12 Q 4.4228 8.1355 117.6609 55.4080 28.7572 175.2957 13 M 3.0713 7.6471 115.7018 56.8867 30.1519 176.9088 14 Q 4.5935 7.8847 116.0383 53.9637 31.9252 175.6548 15 F 5.7200 8.8566 120.8720 56.8286 39.8343 175.1685 16 N 4.8409 8.8943 120.0348 53.3208 37.6933 174.6087 17 T 4.7444 7.8147 114.4170 61.6780 70.7704 173.3869 18 N 5.1316 8.7936 122.9666 53.1446 39.6810 175.0842 19 A 5.2908 8.2596 118.6227 51.8966 22.7865 175.7932 20 I 4.6352 9.3429 123.9182 59.7396 40.3729 174.7967 21 T 5.0517 8.6085 122.4515 61.6933 71.3806 173.4864 22 V 4.0157 8.3168 125.9937 60.5698 33.8010 174.5824 23 D 4.5966 8.8559 130.3382 54.7194 41.6653 177.6861 24 K 4.1150 8.5831 127.2216 56.9381 31.9647 176.2135 25 S 4.3239 8.7806 113.0099 61.7295 62.9426 174.1375 26 C 4.4852 8.2122 121.4853 57.2925 41.9089 174.3425 27 K 4.3042 8.7085 127.9789 57.0233 32.7037 173.6839 28 Q 4.9952 7.8813 115.5348 54.2458 32.0945 174.7504 29 F 4.8347 8.4727 121.3555 56.7041 43.4209 173.3243 30 T 4.7542 7.4067 121.1161 61.5615 71.8744 172.8568 31 V 4.2204 8.3745 126.4654 61.1149 33.7114 174.1298 32 N 4.9198 8.6797 126.3208 51.6191 39.9549 173.3178 33 L 4.9858 8.6363 127.5219 53.9945 44.0989 175.6005 34 S 5.0366 8.9875 119.4938 57.4901 67.5861 173.0029 35 H 6.1693 8.3929 117.8063 53.8327 30.4117 170.4522 36 P 4.5628 0.0000 0.0000 63.0693 33.0116 174.6205 37 G 3.9224 8.2518 106.5555 44.3370 0.0000 172.9754 38 N 4.9402 9.6408 115.0297 52.0346 38.7024 174.4178 39 L 4.3853 8.0163 120.0583 53.3101 42.9505 174.7734 40 P 4.9086 0.0000 0.0000 61.3235 31.4797 176.9343 41 K 3.9689 8.5580 119.4959 59.4355 32.1185 178.1641 42 N 4.5283 8.1602 114.6633 54.2028 37.8137 175.7397 43 V 4.3056 7.2320 117.0443 62.5251 33.4803 175.7360 44 M 4.7805 8.3278 120.0399 54.2236 32.2662 175.0755 45 G 3.9958 8.1612 105.1583 46.5839 0.0000 173.5155 46 H 5.4915 9.3143 119.9075 53.7135 32.3967 172.4056 47 N 5.7380 8.8940 117.4287 50.8954 41.6539 172.4529 48 W 5.3472 9.2019 128.2189 55.6464 33.6832 174.0412 49 V 4.4887 7.7970 126.4065 60.7183 34.6447 173.5672 50 L 4.8097 8.1900 129.3835 53.1409 44.6029 175.2713 51 S 5.2103 8.7942 119.7100 57.1027 67.0968 173.6359 52 T 4.2557 8.5899 109.9505 61.2621 69.1469 174.7521 53 A 4.0235 8.7949 124.9633 55.4218 18.0520 180.2110 54 A 3.8911 7.7817 117.8163 54.9721 18.8471 178.7518 55 D 4.4914 7.9190 116.0079 55.9181 41.0427 178.4068 56 M 3.6589 7.5148 119.8467 58.5036 32.0442 177.6909 57 Q 3.8874 7.9327 119.1767 59.2831 29.1646 178.5394 58 G 3.5410 7.9439 106.1343 47.5821 0.0000 175.6615 59 V 3.6257 7.8091 120.6039 65.8152 31.5071 178.3828 60 V 3.6179 7.9294 118.0325 66.2652 31.4179 178.0531 61 T 3.8339 8.0728 115.6519 66.9744 68.1448 176.4673 62 D 4.5222 8.1851 119.4582 57.1370 41.1854 178.8734 63 G 4.2194 8.2734 107.8685 47.6931 0.0000 175.7398 64 M 4.2444 8.5110 121.5238 58.0776 31.7278 178.7420 65 A 4.0883 7.8961 119.9628 55.0184 18.6444 179.3776 66 S 4.3177 8.1257 113.4383 58.9409 63.1894 175.4780 67 G 3.9155 7.9913 108.9311 44.2419 0.0000 173.8447 68 L 2.7624 7.9706 118.9337 57.8964 41.8936 178.4830 69 D 4.4981 7.8312 115.1968 55.7372 41.3353 176.7753 70 K 4.4164 7.7036 118.4109 55.8044 32.4423 176.1640 71 D 4.3662 8.2435 116.1330 55.2102 39.1583 173.3357 72 Y 4.0438 7.6750 113.9126 59.1464 36.0662 170.3799 73 L 5.0241 7.7226 116.5436 52.4247 45.7273 176.9404 74 K 4.2146 8.5518 123.5877 54.9303 31.9199 174.8745 75 P 4.2528 0.0000 0.0000 64.2475 31.7425 175.9875 76 D 4.2473 8.7403 120.3538 55.2731 38.4204 173.4945 77 D 4.4596 7.4721 116.8443 54.0810 40.9027 176.7138 78 S 4.4528 8.5903 121.3063 59.7117 63.5028 175.3126 79 R 4.0189 8.2228 120.1580 58.0256 30.1357 176.6032 80 V 4.1237 7.5076 118.2847 61.8251 31.2701 175.5688 81 I 4.0588 8.5505 129.8589 64.2575 37.6567 176.6199 82 A 4.8406 7.6845 120.8411 51.3826 22.3004 175.0149 83 H 5.5231 8.5762 114.7800 54.7412 31.5528 173.2873 84 T 4.6432 8.8425 111.9748 60.4501 70.7115 173.9536 85 K 4.4686 9.2790 122.5205 56.1264 34.0240 176.2612 86 L 4.7098 9.0111 123.7746 54.8370 42.6437 175.9468 87 I 4.7928 9.1150 119.6374 59.3080 41.1622 175.4408 88 G 4.5786 9.2703 112.6612 44.3468 0.0000 172.8894 89 S 4.3783 8.1066 114.8575 59.6336 63.1675 174.7412 90 G 4.0205 8.8500 111.8733 45.6777 0.0000 173.7834 91 E 4.4234 7.6072 118.3058 55.8380 30.4888 175.6913 92 K 4.9852 8.0579 118.0086 55.3638 36.4205 175.4937 93 D 4.7583 8.9552 121.1434 53.2652 45.0568 174.0480 94 S 5.3547 8.6697 120.4189 56.6686 65.8969 173.7649 95 V 4.5662 8.5257 121.9342 60.2388 34.5696 174.4430 96 T 5.2125 8.6190 119.3562 61.8113 71.3765 173.2132 97 F 5.0914 8.5484 119.3331 54.9348 42.3419 173.4013 98 D 4.8186 8.8051 119.8142 53.7422 41.5489 177.4296 99 V 3.7286 8.6123 127.7749 65.7140 31.6923 177.6755 100 S 4.3790 8.2500 113.0937 59.9126 62.7867 175.1817 101 K 4.1322 8.0889 120.3432 57.8695 32.1114 176.7760 102 L 4.0770 7.7481 120.0990 53.4579 42.0678 176.2673 103 K 4.6355 9.1435 124.1594 54.3294 33.8238 176.2347 104 E 4.1124 8.6232 121.8145 58.2771 29.7496 177.8759 105 G 3.9380 9.0041 111.4501 45.2413 0.0000 173.0753 106 E 4.0886 7.5093 119.4868 55.2095 30.7618 174.9278 107 Q 4.4197 8.4269 125.1210 54.6944 30.9868 173.6529 108 Y 5.2177 8.4107 124.1966 56.6338 40.8101 174.7123 109 M 5.3329 9.1994 122.7360 53.4569 36.1098 174.5383 110 F 5.0208 8.4851 117.3520 55.3519 41.0962 174.2966 111 F 5.3810 7.8378 114.0991 56.6348 41.5671 171.8708 112 C 5.5391 9.0375 120.2655 57.5736 32.2147 173.8861 113 T 4.2397 9.4429 117.7521 64.2459 68.7403 174.4394 114 P 4.0086 0.0000 0.0000 64.1636 31.6971 175.7993 115 H 5.0002 7.6186 114.6259 53.0387 32.3696 172.5483 116 P 4.6352 0.0000 0.0000 62.7053 29.2595 174.1018 117 M 4.9811 7.7936 124.3623 54.4543 36.5420 173.9184 118 K 4.9480 8.6782 121.0393 56.7893 35.9053 174.1935 119 G 3.5457 7.8553 107.1200 45.9497 0.0000 171.8913 120 T 5.0756 8.3070 109.7614 59.9612 71.2799 173.5935 121 L 5.4258 8.6455 125.5358 53.8182 44.6899 175.6816 122 T 4.8667 8.8474 121.9672 61.5611 72.6575 173.1810 123 L 4.4878 8.5642 125.1249 54.0563 42.6546 176.9110 124 K 4.1821 8.9782 124.5030 56.7838 31.7353 176.3843 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 3 C 8.30 5.02 0.00 2.80 3.32 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 4 S 7.91 4.44 0.00 3.59 3.41 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 5 V 8.26 4.45 2.18 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 0.64 0.00 0.00 0.90 0.00 0.00 6 D 8.52 5.14 0.00 2.52 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.67 4.83 1.63 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 1.26 1.65 0.54 0.00 0.00 8 Q 9.61 5.28 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 9 G 9.14 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.17 5.82 0.00 2.90 2.99 0.00 0.00 6.88 7.49 0.00 0.00 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 8.90 4.55 0.00 2.72 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 12 Q 8.14 4.42 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 13 M 7.65 3.07 0.00 2.04 2.10 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 2.45 2.34 0.00 14 Q 7.88 4.59 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.95 7.08 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 15 F 8.86 5.72 0.00 3.23 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 16 N 8.89 4.84 0.00 2.89 3.00 0.00 0.00 5.76 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 17 T 7.81 4.74 4.31 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 1.28 0.00 0.00 18 N 8.79 5.13 0.00 2.44 2.77 0.00 0.00 6.34 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 19 A 8.26 5.29 1.29 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 20 I 9.34 4.64 2.02 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.73 0.95 0.00 0.00 21 T 8.61 5.05 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 1.21 0.00 0.00 22 V 8.32 4.02 1.85 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 0.65 0.00 0.00 -0.04 0.00 0.00 23 D 8.86 4.60 0.00 2.75 2.55 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 24 K 8.58 4.11 0.00 1.82 1.71 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.03 7.81 25 S 8.78 4.32 0.00 3.93 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 26 C 8.21 4.49 0.00 3.06 3.26 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 27 K 8.71 4.30 0.00 1.45 1.80 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.80 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.42 1.00 7.81 28 Q 7.88 5.00 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.69 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 29 F 8.47 4.83 0.00 2.69 1.80 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 30 T 7.41 4.75 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 0.99 0.00 0.00 31 V 8.37 4.22 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 -0.16 0.00 0.00 0.10 0.00 0.00 32 N 8.68 4.92 0.00 2.66 2.64 0.00 0.00 6.18 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 33 L 8.64 4.99 0.00 1.72 1.70 1.23 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.99 5.04 0.00 3.91 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 35 H 8.39 6.17 0.00 3.26 3.28 0.00 5.72 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.56 0.00 2.16 2.00 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.15 0.00 37 G 8.25 3.92 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 0.00 0.00 0.00 38 N 9.64 4.94 0.00 2.73 2.88 0.00 0.00 6.95 8.40 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 39 L 8.02 4.39 0.00 1.87 1.62 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.91 0.00 2.22 2.18 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 41 K 8.56 3.97 0.00 1.83 1.87 0.00 1.96 0.00 0.00 1.89 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.49 7.81 42 N 8.16 4.53 0.00 2.90 2.95 0.00 0.00 5.86 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 43 V 7.23 4.31 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 0.76 0.00 0.00 0.95 0.00 0.00 44 M 8.33 4.78 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 45 G 8.16 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 9.31 5.49 0.00 3.15 3.24 0.00 5.56 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.89 5.74 0.00 2.95 3.14 0.00 0.00 5.51 8.88 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 48 W 9.20 5.35 0.00 3.44 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 49 V 7.80 4.49 1.04 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 0.59 0.00 0.00 0.87 0.00 0.00 50 L 8.19 4.81 0.00 1.03 1.22 0.88 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.79 5.21 0.00 4.13 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.59 4.26 4.07 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 1.15 0.00 0.00 53 A 8.79 4.02 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 54 A 7.78 3.89 1.25 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 0.00 0.00 55 D 7.92 4.49 0.00 2.83 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 56 M 7.51 3.66 0.00 1.69 1.65 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.78 0.00 57 Q 7.93 3.89 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 58 G 7.94 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.81 3.63 2.36 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 1.20 0.00 0.00 1.07 0.00 0.00 60 V 7.93 3.62 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 1.07 0.00 0.00 0.82 0.00 0.00 61 T 8.07 3.83 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 1.20 0.00 0.00 62 D 8.19 4.52 0.00 2.74 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 63 G 8.27 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 0.00 0.00 0.00 0.00 64 M 8.51 4.24 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.83 0.00 65 A 7.90 4.09 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 66 S 8.13 4.32 0.00 4.13 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 67 G 7.99 3.92 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 0.00 0.00 0.00 68 L 7.97 2.76 0.00 1.39 1.47 0.76 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 69 D 7.83 4.50 0.00 2.64 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.70 4.42 0.00 1.84 1.89 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.35 7.81 71 D 8.24 4.37 0.00 2.86 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 7.67 4.04 0.00 3.20 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 73 L 7.72 5.02 0.00 1.73 1.46 0.80 0.61 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 74 K 8.55 4.21 0.00 1.74 1.74 0.00 1.63 0.00 0.00 0.61 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.44 7.81 75 P 0.00 4.25 0.00 2.22 1.97 0.00 3.80 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 76 D 8.74 4.25 0.00 2.84 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 7.47 4.46 0.00 2.89 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 78 S 8.59 4.45 0.00 4.04 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 79 R 8.22 4.02 0.00 1.99 2.15 0.00 3.17 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.58 0.00 80 V 7.51 4.12 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 0.82 0.00 0.00 0.96 0.00 0.00 81 I 8.55 4.06 1.79 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 1.16 0.82 0.68 0.00 0.00 82 A 7.68 4.84 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 83 H 8.58 5.52 0.00 3.15 3.24 0.00 5.72 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.84 4.64 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 85 K 9.28 4.47 0.00 1.93 1.93 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.69 1.44 7.81 86 L 9.01 4.71 0.00 1.80 1.72 1.20 1.34 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 87 I 9.11 4.79 1.94 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 1.45 0.73 0.98 0.00 0.00 88 G 9.27 4.58 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 89 S 8.11 4.38 0.00 4.08 3.79 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 G 8.85 4.02 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 0.00 0.00 0.00 91 E 7.61 4.42 0.00 2.16 1.92 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 2.34 2.28 0.00 92 K 8.06 4.99 0.00 1.57 1.63 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.43 7.81 93 D 8.96 4.76 0.00 2.81 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.67 5.35 0.00 3.69 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 95 V 8.53 4.57 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 0.96 0.00 0.00 1.12 0.00 0.00 96 T 8.62 5.21 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 1.14 0.00 0.00 97 F 8.55 5.09 0.00 3.08 3.16 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 98 D 8.81 4.82 0.00 2.75 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 99 V 8.61 3.73 2.28 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 0.94 0.00 0.00 0.81 0.00 0.00 100 S 8.25 4.38 0.00 4.06 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 0.00 101 K 8.09 4.13 0.00 1.86 1.91 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.71 1.62 7.81 102 L 7.75 4.08 0.00 1.71 1.48 0.93 -0.11 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 0.00 103 K 9.14 4.64 0.00 1.89 1.78 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.61 7.81 104 E 8.62 4.11 0.00 1.98 1.93 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 2.35 2.29 0.00 105 G 9.00 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 0.00 0.00 0.00 106 E 7.51 4.09 0.00 1.81 1.73 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 1.89 1.47 0.00 107 Q 8.43 4.42 0.00 2.02 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.56 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 108 Y 8.41 5.22 0.00 3.21 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 0.00 109 M 9.20 5.33 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 110 F 8.49 5.02 0.00 1.65 2.51 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 0.00 0.00 0.00 0.00 111 F 7.84 5.38 0.00 3.16 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 0.00 112 C 9.04 5.54 0.00 3.23 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 0.00 113 T 9.44 4.24 4.33 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 1.45 0.00 0.00 114 P 0.00 4.01 0.00 1.43 1.11 0.00 3.74 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 1.79 1.95 0.00 115 H 7.62 5.00 0.00 3.08 3.11 0.00 5.70 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 0.00 116 P 0.00 4.64 0.00 2.15 2.07 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 117 M 7.79 4.98 0.00 1.43 1.63 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 118 K 8.68 4.95 0.00 1.78 1.79 0.00 1.52 0.00 0.00 1.64 0.00 0.00 2.68 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.34 7.81 119 G 7.86 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 0.00 120 T 8.31 5.08 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 1.19 0.00 0.00 121 L 8.65 5.43 0.00 1.99 1.73 1.19 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 122 T 8.85 4.87 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 1.25 0.00 0.00 123 L 8.56 4.49 0.00 1.56 1.61 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 124 K 8.98 4.18 0.00 2.12 1.70 0.00 1.95 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.45 1.27 7.81