NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0977 8.0549 120.3941 62.5550 32.7247 174.6966 2 L 4.1982 8.2012 125.4700 52.0504 42.6539 176.0817 3 S 4.5588 9.7193 119.6903 57.6523 66.3251 174.9806 4 E 4.2547 8.9063 121.8106 59.7887 29.2160 179.8696 5 G 3.6796 8.1540 105.0698 47.8659 0.0000 175.4335 6 E 3.9090 7.8490 119.8665 59.0453 29.4205 179.4930 7 W 4.3727 8.3081 119.1970 59.8048 29.0414 178.3646 8 Q 4.0702 8.5425 119.7374 59.1304 28.4748 178.2815 9 L 4.0457 7.9685 119.9512 57.7279 41.6733 179.6013 10 V 3.7308 7.8741 118.1108 66.2831 31.5907 178.0869 11 L 4.3148 8.4639 118.4559 57.4413 41.0962 178.9105 12 H 4.2200 8.6057 119.1333 59.2111 29.9022 177.7013 13 V 3.4599 7.8893 120.7068 64.5238 31.3053 178.1813 14 W 3.9247 8.5330 128.8466 60.0384 30.2724 177.7801 15 A 4.0215 7.9827 120.1869 55.0221 18.1358 179.4497 16 K 3.9358 7.4921 116.8274 59.2350 32.1000 179.5121 17 V 2.8323 7.0996 118.4791 65.8852 30.9719 177.6867 18 E 3.9219 7.4605 115.8263 58.0698 29.3636 178.4743 19 A 4.1850 7.4122 120.1610 53.7055 20.0114 177.6445 20 D 4.6647 7.8202 116.3074 52.2475 42.9262 175.5902 21 V 3.4217 7.8254 123.2442 65.7227 32.0874 176.8266 22 A 4.0525 7.9631 120.2055 54.9951 18.2861 179.7178 23 G 3.4637 8.3988 104.2968 48.2320 0.0000 175.7295 24 H 4.1577 8.2494 118.9712 58.4409 28.6924 178.1800 25 G 3.5504 8.2685 107.7284 47.6673 0.0000 175.5125 26 Q 3.8354 8.1388 122.0259 59.1013 29.1160 178.1472 27 D 4.2667 7.9384 119.8437 57.3310 40.7975 178.9677 28 I 3.6507 7.7979 120.2797 64.3327 37.0842 178.5400 29 L 3.4469 7.6543 119.7909 57.5683 41.2594 179.6296 30 I 3.5790 7.6122 119.8295 64.2676 36.9317 178.4556 31 R 3.7707 7.9465 119.5598 59.1149 29.8348 178.2057 32 L 3.9062 7.7669 120.1075 58.4017 41.6745 179.1243 33 F 4.5308 7.8995 117.6816 60.5478 38.5567 177.9282 34 K 4.0509 8.2022 117.7160 59.4584 31.9723 179.3345 35 S 4.3022 8.1225 114.8030 60.2186 64.1563 174.3907 36 H 4.7385 8.1667 118.3834 52.1425 29.0654 171.9946 37 P 4.5178 0.0000 0.0000 64.2939 31.0589 177.5120 38 E 4.0749 8.2492 116.6333 59.4751 29.5237 179.1291 39 T 3.9493 8.1915 111.1937 64.4834 68.8645 176.3231 40 L 3.6254 7.8544 123.4225 57.8387 41.7892 178.4837 41 E 4.0814 7.7659 116.9358 58.5920 29.6205 178.2763 42 K 4.4314 8.0337 116.5972 57.0651 32.8735 177.4517 43 F 4.6138 8.0571 119.2543 55.4564 39.1123 175.5798 44 D 4.3991 8.5370 124.2897 57.1455 41.0166 178.5988 45 R 3.8195 7.8967 118.0057 58.3559 30.2426 176.6060 46 F 5.0978 8.0511 113.8953 56.7314 40.5686 176.3619 47 K 4.2136 8.0945 119.2063 58.2246 32.7516 177.4269 48 H 4.4273 8.1025 114.6421 57.0496 29.0332 175.2418 49 L 4.2478 7.5783 121.7314 54.3067 41.9116 176.6888 50 K 4.5714 9.5006 121.9022 55.6227 34.5073 176.6319 51 T 4.7403 7.5338 108.4881 58.7820 73.1439 174.0829 52 E 3.8961 8.7087 121.9104 59.5481 29.7631 178.9442 53 A 3.9681 7.9635 120.2279 55.1933 18.2343 179.3355 54 E 3.9381 7.8398 115.7338 59.7694 29.7107 179.1018 55 M 4.1709 8.0721 118.7054 58.4735 31.8281 179.0772 56 K 3.9625 8.1509 117.2915 58.9249 32.2758 178.5883 57 A 4.3893 7.5465 118.7140 52.0450 18.9739 177.1425 58 S 4.3154 7.4417 114.0226 57.4690 62.8981 174.5051 59 E 4.0138 8.8632 129.0875 59.2675 29.5066 177.9935 60 D 4.4344 8.1726 117.8933 57.0681 41.3252 177.8186 61 L 3.5187 8.0839 121.0694 57.7948 42.1550 178.7424 62 K 3.8227 7.7928 119.3544 59.4164 32.2261 178.5236 63 K 3.9518 8.2528 119.8480 59.9635 32.0976 178.2954 64 H 4.4533 8.6393 118.5920 59.0449 29.7789 177.3779 65 G 3.5834 8.3266 107.9418 47.6926 0.0000 175.8302 66 V 3.6212 7.7208 119.9782 66.0641 31.6837 178.2021 67 T 3.8719 7.8129 115.1683 66.6179 68.2993 176.7238 68 V 3.6205 7.8951 120.0405 66.2028 31.5539 178.1837 69 L 4.2400 8.0396 118.6924 57.9310 41.4138 179.5798 70 T 3.9491 8.3339 115.9299 66.5936 68.4718 176.5119 71 A 3.9892 7.9609 122.2360 55.0983 18.3674 179.4395 72 L 3.8053 8.1771 119.1021 58.1090 42.1096 179.4201 73 G 3.2120 8.5021 105.8212 47.6097 0.0000 175.5258 74 A 4.0181 7.7635 122.2306 54.8077 18.6184 179.6335 75 I 3.7946 7.5118 117.8344 64.6000 37.2719 178.6024 76 L 3.9742 7.7937 120.0012 57.7060 41.1931 179.4965 77 K 4.0331 7.6764 116.4818 58.1197 32.3055 178.6653 78 K 3.9459 7.8359 118.5793 55.9539 32.4622 176.6529 79 K 2.0000 8.2885 117.9414 56.4641 29.7528 175.8895 80 G 4.0340 8.1607 106.7146 45.7323 0.0000 174.1862 81 H 4.7537 7.5262 119.0360 55.3747 27.5549 174.8576 82 H 5.1757 7.2927 110.6576 54.5529 29.7449 176.5522 83 E 3.9676 8.5478 121.9038 60.3499 28.9815 179.0301 84 A 4.0457 7.9024 118.7503 54.9972 17.4640 178.9357 85 E 4.1450 8.0937 116.6864 58.9710 29.7966 178.7299 86 L 4.2184 8.1843 120.5161 57.4606 42.2351 178.4817 87 K 3.8455 8.1188 119.6948 59.3829 32.1374 176.9743 88 P 4.2626 0.0000 0.0000 65.2724 31.2030 178.4245 89 L 4.0148 7.5059 116.6320 58.0674 41.9783 178.8196 90 A 4.1142 8.1514 120.7637 55.3828 18.3415 179.6190 91 Q 3.7985 8.2277 116.7740 59.0263 28.6915 179.2881 92 S 3.9954 8.1707 115.2722 61.8600 63.0398 176.3234 93 H 4.1242 8.5575 119.8475 58.0555 28.2331 177.8047 94 A 3.1380 7.9890 123.1607 54.6787 17.9609 179.2683 95 T 3.8595 7.2573 105.6489 61.9792 69.6643 175.4378 96 K 4.1927 7.4844 120.6047 58.3112 33.3071 176.8506 97 H 4.3540 8.0097 113.8066 55.9746 29.5226 175.3873 98 K 3.8725 7.6026 116.9063 56.2058 28.9221 175.3977 99 I 4.2802 7.9708 118.8365 58.8354 38.9043 175.1604 100 P 4.5639 0.0000 0.0000 62.1818 32.2441 177.3327 101 I 3.4407 8.3037 120.5858 64.4537 36.8682 178.4360 102 K 3.6707 7.9130 119.9151 59.7284 31.8777 178.1603 103 Y 4.1186 7.8844 116.6997 60.5445 37.7761 178.0724 104 L 4.1712 7.8818 120.4944 57.4209 41.6469 178.9208 105 E 3.9428 8.0091 118.9741 59.3459 29.6517 178.7027 106 F 4.4703 7.8586 117.7759 60.8321 38.9621 177.5862 107 I 3.8484 8.0918 118.2220 63.9611 37.7345 178.0437 108 S 4.1938 8.1837 116.2369 61.7292 62.7188 176.5069 109 E 4.0499 8.3692 120.9612 59.3644 29.2226 179.2727 110 A 4.0436 8.1150 120.8227 55.1065 18.4208 179.7097 111 I 3.6698 7.9716 118.2929 64.7154 37.2673 178.6863 112 I 3.8227 7.8219 120.5729 64.6759 36.9170 178.0232 113 H 4.1164 8.4103 119.0436 59.3003 29.7210 177.5373 114 V 3.5836 7.9415 120.0636 65.9373 31.3492 178.0027 115 L 3.8099 7.9286 118.8450 57.8188 41.0590 178.9798 116 H 4.3469 7.9784 117.3315 59.4009 29.9223 177.1309 117 S 4.2013 7.9626 115.9189 61.4031 62.7706 176.2466 118 R 4.2182 7.6764 118.3384 56.6934 31.5373 176.2178 119 H 5.0120 8.0931 116.0693 53.8407 29.2413 173.1497 120 P 4.2910 0.0000 0.0000 65.7418 31.6096 179.1084 121 G 3.6772 8.1314 106.8798 47.5217 0.0000 173.7556 122 D 4.9119 8.0431 116.9183 54.0217 41.8984 176.0263 123 F 4.9778 7.6429 119.5458 56.6322 39.4338 174.1765 124 G 3.8379 7.7050 108.8946 44.0996 0.0000 172.4985 125 A 3.8756 8.4013 121.1211 55.0914 18.1817 179.5014 126 D 4.1811 7.9487 117.0057 56.6094 39.4508 178.5982 127 A 3.9514 7.7232 121.7414 54.5865 18.3569 179.2142 128 Q 3.4153 7.8038 118.6672 59.0055 29.0704 178.6762 129 G 3.5227 8.1876 106.7903 47.7208 0.0000 175.5316 130 A 3.8627 7.8581 123.2997 55.0275 18.4051 179.4109 131 M 4.0140 8.3116 117.0264 58.6987 32.2490 177.8073 132 N 4.2968 8.4144 117.4558 56.7130 39.1299 176.7469 133 K 3.8535 8.0737 120.7094 59.3317 32.2395 178.6641 134 A 3.8561 7.9464 121.1134 55.1592 18.3207 179.6694 135 L 4.0985 8.1630 117.5059 57.7213 41.5837 179.5152 136 E 4.0157 8.5256 119.1053 59.1997 29.3861 179.0267 137 L 3.9710 8.0907 120.3760 58.0545 42.2027 178.5513 138 F 4.1531 8.3045 120.5704 61.6754 39.2042 177.3720 139 R 3.6256 8.1593 117.3729 58.9515 29.9308 178.9527 140 K 3.8489 8.3269 119.7725 59.7122 31.9634 178.6424 141 D 4.3731 8.1265 119.1160 57.1885 40.6639 178.8118 142 I 3.5557 7.5718 120.1811 64.2542 36.9997 178.2769 143 A 3.7245 8.0754 121.6492 55.0170 18.2291 179.5462 144 A 3.9558 7.9123 119.1160 55.1882 18.5283 180.1025 145 K 3.9869 7.8682 116.9338 59.7647 32.0874 179.0184 146 Y 4.1087 8.4512 117.3200 61.1423 37.8826 178.8712 147 K 3.9977 8.4095 120.4391 59.3897 32.0847 178.2761 148 E 3.9582 7.9041 118.3035 59.3605 29.7074 178.2906 149 L 4.4284 7.7158 115.1191 55.1277 41.9632 177.5772 150 G 3.8487 8.0561 106.9378 45.9269 0.0000 173.6407 151 Y 4.5510 8.1835 114.2256 57.3162 38.7931 176.7608 152 Q 4.1321 8.2366 122.7424 57.1019 29.6056 175.9383 153 G 4.0238 8.1865 110.3816 45.5614 0.0000 172.8464 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 4.10 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 1.10 0.00 0.00 0.97 0.00 0.00 2 L 8.20 4.20 0.00 1.00 0.71 0.55 -0.55 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 3 S 9.72 4.56 0.00 4.05 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 4 E 8.91 4.25 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.39 0.00 5 G 8.15 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 7.85 3.91 0.00 2.09 1.74 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 2.23 2.27 0.00 7 W 8.31 4.37 0.00 3.56 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 8.54 4.07 0.00 2.31 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 9 L 7.97 4.05 0.00 1.98 1.75 0.94 0.80 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 10 V 7.87 3.73 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 1.19 0.00 0.00 0.88 0.00 0.00 11 L 8.46 4.31 0.00 1.85 1.80 0.93 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.61 4.22 0.00 3.42 3.53 0.00 5.78 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 13 V 7.89 3.46 2.29 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 0.99 0.00 0.00 0.83 0.00 0.00 14 W 8.53 3.92 0.00 3.63 3.20 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 15 A 7.98 4.02 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.49 3.94 0.00 1.49 1.65 0.00 1.64 0.00 0.00 1.48 0.00 0.00 2.71 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.45 7.81 17 V 7.10 2.83 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 0.00 0.00 -0.10 0.00 0.00 0.24 0.00 0.00 18 E 7.46 3.92 0.00 2.05 1.91 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 2.23 2.19 0.00 19 A 7.41 4.18 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 D 7.82 4.66 0.00 2.71 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 21 V 7.83 3.42 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.87 0.00 0.00 22 A 7.96 4.05 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 3.46 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 24 H 8.25 4.16 0.00 3.23 3.23 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 8.27 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 26 Q 8.14 3.84 0.00 2.14 2.27 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 2.28 2.32 0.00 27 D 7.94 4.27 0.00 2.80 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 28 I 7.80 3.65 1.81 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.74 0.87 0.00 0.00 29 L 7.65 3.45 0.00 1.33 0.88 0.76 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 30 I 7.61 3.58 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.65 0.87 0.00 0.00 31 R 7.95 3.77 0.00 1.89 2.03 0.00 3.05 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 32 L 7.77 3.91 0.00 1.76 1.45 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.90 4.53 0.00 2.97 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 34 K 8.20 4.05 0.00 1.75 1.83 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.60 7.81 35 S 8.12 4.30 0.00 3.77 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 8.17 4.74 0.00 3.07 2.95 0.00 5.62 0.00 0.00 0.00 0.00 6.86 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 4.52 0.00 2.16 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 1.98 0.00 38 E 8.25 4.07 0.00 2.29 2.29 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 2.20 2.52 0.00 39 T 8.19 3.95 4.48 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 0.87 0.00 0.00 40 L 7.85 3.63 0.00 1.36 1.74 0.03 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.77 4.08 0.00 2.07 2.24 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 2.38 2.45 0.00 42 K 8.03 4.43 0.00 1.90 1.70 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.71 1.91 7.81 43 F 8.06 4.61 0.00 3.27 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.54 4.40 0.00 2.63 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 45 R 7.90 3.82 0.00 1.43 1.12 0.00 2.97 0.00 0.00 2.84 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.27 0.00 46 F 8.05 5.10 0.00 2.90 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 47 K 8.09 4.21 0.00 1.86 2.21 0.00 1.59 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.45 7.81 48 H 8.10 4.43 0.00 3.31 3.47 0.00 5.52 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 7.58 4.25 0.00 1.62 1.58 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.50 4.57 0.00 1.76 1.79 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.32 7.81 51 T 7.53 4.74 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 1.21 0.00 0.00 52 E 8.71 3.90 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 7.96 3.97 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 7.84 3.94 0.00 2.13 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 8.07 4.17 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.58 0.00 56 K 8.15 3.96 0.00 1.83 1.85 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.60 7.81 57 A 7.55 4.39 1.36 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 0.00 0.00 0.00 58 S 7.44 4.32 0.00 3.85 3.87 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 59 E 8.86 4.01 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 2.40 2.45 0.00 60 D 8.17 4.43 0.00 2.95 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 L 8.08 3.52 0.00 1.44 1.63 -0.12 0.50 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 62 K 7.79 3.82 0.00 1.80 1.98 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.43 7.81 63 K 8.25 3.95 0.00 2.01 2.08 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.51 7.81 64 H 8.64 4.45 0.00 3.67 3.47 0.00 5.84 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 8.33 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 66 V 7.72 3.62 2.26 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 1.12 0.00 0.00 0.98 0.00 0.00 67 T 7.81 3.87 4.37 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 1.27 0.00 0.00 68 V 7.90 3.62 2.21 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 1.09 0.00 0.00 0.97 0.00 0.00 69 L 8.04 4.24 0.00 1.81 1.86 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.33 3.95 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 1.26 0.00 0.00 71 A 7.96 3.99 1.42 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 72 L 8.18 3.81 0.00 1.64 1.62 0.21 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.50 3.21 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 0.00 74 A 7.76 4.02 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.51 3.79 1.91 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.57 0.95 0.00 0.00 76 L 7.79 3.97 0.00 1.18 1.54 -0.06 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.68 4.03 0.00 1.65 1.79 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.44 1.50 7.81 78 K 7.84 3.95 0.00 1.84 1.80 0.00 1.74 0.00 0.00 1.59 0.00 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.74 7.81 79 K 8.29 2.00 0.00 1.20 0.74 0.00 1.45 0.00 0.00 1.38 0.00 0.00 2.59 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.30 0.66 7.81 80 G 8.16 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 81 H 7.53 4.75 0.00 3.13 3.22 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.29 5.18 0.00 3.29 3.45 0.00 5.66 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 83 E 8.55 3.97 0.00 2.09 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 2.41 2.47 0.00 84 A 7.90 4.05 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 85 E 8.09 4.15 0.00 2.10 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 2.39 2.43 0.00 86 L 8.18 4.22 0.00 1.81 1.68 0.69 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.12 3.85 0.00 1.88 1.81 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.50 7.81 88 P 0.00 4.26 0.00 2.22 2.10 0.00 3.72 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 2.13 2.15 0.00 89 L 7.51 4.01 0.00 1.78 1.90 0.99 1.08 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 90 A 8.15 4.11 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 8.23 3.80 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 92 S 8.17 4.00 0.00 3.93 4.10 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 93 H 8.56 4.12 0.00 3.48 3.57 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 7.99 3.14 -0.04 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 95 T 7.26 3.86 4.11 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 0.84 0.00 0.00 96 K 7.48 4.19 0.00 1.55 1.73 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.20 1.34 7.81 97 H 8.01 4.35 0.00 3.04 3.16 0.00 5.86 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 98 K 7.60 3.87 0.00 1.87 1.84 0.00 1.80 0.00 0.00 2.41 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.37 7.81 99 I 7.97 4.28 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.93 1.09 0.00 0.00 100 P 0.00 4.56 0.00 1.92 2.01 0.00 2.79 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 0.86 1.56 0.00 101 I 8.30 3.44 1.72 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.49 0.72 0.00 0.00 102 K 7.91 3.67 0.00 1.72 1.65 0.00 1.54 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 0.64 7.81 103 Y 7.88 4.12 0.00 3.19 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 0.00 104 L 7.88 4.17 0.00 1.81 1.77 0.62 0.92 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 0.00 105 E 8.01 3.94 0.00 1.96 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 2.47 2.44 0.00 106 F 7.86 4.47 0.00 3.22 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 0.00 107 I 8.09 3.85 2.01 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 1.58 1.39 1.10 0.00 0.00 108 S 8.18 4.19 0.00 4.20 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 0.00 109 E 8.37 4.05 0.00 2.27 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 0.00 2.66 2.60 0.00 110 A 8.11 4.04 1.37 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 0.00 0.00 111 I 7.97 3.67 2.08 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.86 1.02 0.00 0.00 112 I 7.82 3.82 2.11 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.08 1.13 0.00 0.00 113 H 8.41 4.12 0.00 3.25 3.45 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.94 3.58 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 0.90 0.00 0.00 0.98 0.00 0.00 115 L 7.93 3.81 0.00 0.99 0.49 0.70 0.64 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 0.00 116 H 7.98 4.35 0.00 3.40 3.52 0.00 5.96 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 0.00 117 S 7.96 4.20 0.00 3.95 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 7.68 4.22 0.00 1.61 1.57 0.00 2.76 0.00 0.00 2.77 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.58 0.00 119 H 8.09 5.01 0.00 3.21 3.21 0.00 5.63 0.00 0.00 0.00 0.00 6.75 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 4.29 0.00 2.19 2.23 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.93 0.00 121 G 8.13 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 0.00 122 D 8.04 4.91 0.00 2.79 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 0.00 123 F 7.64 4.98 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 0.00 124 G 7.71 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.40 3.88 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 7.95 4.18 0.00 2.83 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 A 7.72 3.95 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 0.00 128 Q 7.80 3.42 0.00 1.53 1.99 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 2.27 2.32 0.00 129 G 8.19 3.52 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 0.00 0.00 0.00 130 A 7.86 3.86 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 0.00 131 M 8.31 4.01 0.00 2.40 2.39 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.83 0.00 132 N 8.41 4.30 0.00 2.93 2.92 0.00 0.00 6.86 7.76 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 0.00 133 K 8.07 3.85 0.00 1.93 1.77 0.00 1.60 0.00 0.00 1.50 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.37 7.81 134 A 7.95 3.86 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 0.00 135 L 8.16 4.10 0.00 1.76 1.80 0.97 0.64 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 0.00 136 E 8.53 4.02 0.00 2.16 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 2.35 2.54 0.00 137 L 8.09 3.97 0.00 1.82 1.97 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.30 4.15 0.00 3.12 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 0.00 139 R 8.16 3.63 0.00 2.03 1.87 0.00 3.14 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.94 0.00 140 K 8.33 3.85 0.00 1.85 2.03 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 141 D 8.13 4.37 0.00 2.80 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 0.00 142 I 7.57 3.56 1.37 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.17 0.49 0.00 0.00 143 A 8.08 3.72 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 0.00 144 A 7.91 3.96 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 0.00 145 K 7.87 3.99 0.00 1.98 1.91 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.63 7.81 146 Y 8.45 4.11 0.00 3.13 3.04 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 0.00 147 K 8.41 4.00 0.00 2.11 2.00 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.90 3.96 0.00 2.07 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 0.00 2.35 2.38 0.00 149 L 7.72 4.43 0.00 1.95 1.92 0.79 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.06 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 0.00 151 Y 8.18 4.55 0.00 2.62 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 0.00 152 Q 8.24 4.13 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.54 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 153 G 8.19 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