NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4549 8.3044 118.1952 55.1639 32.5776 174.1704 1 V 4.2469 7.8416 117.8809 60.5890 34.2925 173.2319 2 L 4.2360 8.3243 127.7473 54.2160 43.3846 177.1064 3 S 4.5226 8.7235 118.0115 57.6949 65.2906 175.1788 4 E 4.2956 8.8331 122.7211 59.5907 29.3861 179.1462 5 G 3.6281 8.1143 105.2619 47.6156 0.0000 175.4955 6 E 3.8611 7.9740 120.5515 59.1744 29.4692 179.1704 7 W 4.4528 7.9734 118.8950 60.1525 29.0432 178.5866 8 Q 4.1311 8.5574 117.9379 59.0395 27.7357 178.8237 9 L 4.0446 8.0442 120.0102 57.7219 41.6430 179.7772 10 V 3.7565 7.9700 118.0486 66.2913 31.6327 178.2589 11 L 4.2968 8.5870 118.7821 57.5501 41.0627 179.1099 12 H 4.2372 8.6680 119.3452 59.2558 29.8921 177.6939 13 V 3.5548 7.7277 120.5212 64.3601 31.3262 178.0870 14 W 3.8553 8.5452 128.9007 60.1805 30.2847 177.6528 15 A 3.9800 7.9184 119.9168 55.0171 18.0052 179.6263 16 K 3.9235 7.2683 116.8006 59.4854 32.1662 179.4547 17 V 2.7962 7.1430 118.4287 65.9522 31.0147 177.6885 18 E 3.8766 7.5152 115.4555 58.1445 29.2745 178.4961 19 A 4.2404 7.4762 120.4489 53.5464 19.9168 177.5611 20 D 4.6488 7.8472 116.8451 51.9496 42.3374 175.5391 21 V 3.4556 7.9170 122.9230 65.5324 32.1006 176.7930 22 A 4.0860 7.9975 120.2300 55.0751 18.2852 179.7221 23 G 3.7159 8.2674 105.6507 47.7553 0.0000 175.7967 24 H 4.2588 8.4248 118.8132 58.3487 28.6379 178.1226 25 G 3.5585 8.4546 108.1344 47.6360 0.0000 175.4953 26 Q 3.8472 8.0557 121.8907 59.0606 29.1537 178.0177 27 D 4.2773 7.9718 119.7441 57.4287 40.8104 178.9918 28 I 3.6143 7.7650 120.0421 64.4371 37.0854 178.5078 29 L 3.4522 7.7879 119.7141 57.6184 41.2763 179.7470 30 I 3.6718 7.4545 119.6645 64.1703 36.9534 178.2933 31 R 3.7509 7.8329 119.4796 59.3576 29.8185 177.9439 32 L 3.8423 7.9223 120.3283 58.5635 41.8493 179.1783 33 F 4.5417 8.0540 117.5313 60.3552 38.5328 177.7568 34 K 4.0766 8.0991 117.9038 59.0874 32.0888 179.2004 35 S 4.2345 8.0409 114.9095 60.4127 64.4315 174.5777 36 H 4.7399 8.1727 117.9720 51.9588 29.1432 171.8186 37 P 4.7285 0.0000 0.0000 64.8215 31.6446 177.6799 38 E 4.1100 8.3114 115.9498 59.5668 29.2457 179.2428 39 T 3.7518 8.2685 111.4637 64.5950 68.7695 176.1830 40 L 3.8511 8.0849 123.0629 57.9264 41.7198 178.7886 41 E 4.1361 8.0771 117.5441 58.9932 29.3987 178.9550 42 K 4.4143 8.1901 117.6970 57.4547 32.5196 176.9493 43 F 4.5306 8.2817 118.7590 55.8478 38.3033 176.0666 44 D 4.3971 8.6422 126.8478 57.3112 40.8529 178.8135 45 R 3.8337 7.7936 116.5537 57.9531 30.3265 176.9430 46 F 4.9004 7.6242 113.6696 56.2902 40.7746 176.3823 47 K 3.8320 8.3260 122.9409 59.8150 31.8837 176.9781 48 H 4.4557 8.1647 111.4261 56.4622 29.1233 175.2350 49 L 3.9554 7.3897 121.7682 55.0518 41.5472 176.8851 50 K 4.2361 9.2399 124.4201 57.6214 33.1004 177.0829 51 T 4.7227 7.4378 107.5080 58.9080 73.1981 174.2354 52 E 3.9208 8.6163 120.4888 59.2974 29.5542 178.4572 53 A 3.9755 7.9162 120.4809 55.2085 18.2918 179.3263 54 E 3.9746 7.8817 115.7323 59.5089 29.8327 179.2367 55 M 4.1900 7.9378 119.0171 58.3598 31.8393 178.8503 56 K 3.9471 8.0252 117.2658 59.3088 32.3381 178.6859 57 A 4.3625 7.9366 118.6128 52.2513 18.8003 177.2888 58 S 4.2463 7.5079 113.4120 57.6782 62.7583 174.4400 59 E 4.0302 8.8950 129.3465 59.4113 29.4896 178.2353 60 D 4.5233 8.1536 118.6895 57.1049 40.9290 178.3006 61 L 3.2453 8.1331 121.0959 57.6364 42.0942 178.8216 62 K 3.8335 7.8215 119.1948 59.5228 32.0932 178.9384 63 K 4.0303 8.1326 118.7733 59.1946 31.9680 179.0879 64 L 4.0992 8.0555 120.8537 58.2077 42.0747 179.0983 65 G 3.7417 8.2266 105.8513 47.8980 0.0000 175.7765 66 V 3.6026 7.6831 119.8018 66.0338 31.6008 178.1742 67 T 3.8837 7.8672 115.4776 66.6793 68.3112 176.6439 68 V 3.6286 8.3305 120.2007 66.2182 31.6367 178.0858 69 L 4.1940 8.0399 118.6393 58.0781 41.4523 179.6350 70 T 3.9627 8.3208 115.7476 66.6394 68.5316 176.5287 71 A 4.0071 8.0926 122.6694 54.9335 18.3645 179.3915 72 L 3.6920 8.1570 119.0855 58.0859 42.1668 179.2540 73 G 3.3232 8.5957 105.6859 47.8477 0.0000 175.2955 74 A 3.9980 7.7359 122.0919 54.7581 18.6559 179.6175 75 I 3.7570 7.3880 117.6708 64.6076 37.1648 178.6326 76 L 3.9496 7.8932 120.1497 57.7548 41.1454 179.7896 77 K 3.8602 7.6800 117.2081 58.7430 32.2578 178.7908 78 K 3.9582 7.7830 117.7754 56.0990 32.5396 176.6851 79 K 2.0000 8.3516 118.6729 56.4292 29.9216 174.9395 80 G 4.0718 7.9368 105.7590 45.9498 0.0000 174.2703 81 H 4.5628 7.4809 118.7618 54.7388 27.1643 174.5024 82 H 5.3874 7.3337 112.1355 53.8650 29.5224 176.0622 83 E 3.9274 8.5909 122.7555 60.2276 28.9837 178.6839 84 A 4.1038 7.8875 118.9002 55.2008 18.1956 179.0203 85 E 4.0825 8.1368 116.7280 59.3877 29.5316 179.1275 86 L 4.1743 8.3707 120.6336 57.5761 42.0923 179.0488 87 K 3.9720 7.7306 117.8323 58.9824 32.0490 177.3926 88 P 4.2830 0.0000 0.0000 65.7064 31.3294 177.9328 89 L 3.9925 7.4660 116.7748 58.0164 41.9912 178.9622 90 A 4.2380 8.4256 120.9597 55.0615 18.2197 179.3832 91 Q 3.9026 8.2876 118.4019 59.4159 29.1375 178.7601 92 S 4.0085 8.2860 115.3623 61.8260 63.0910 176.1554 93 H 4.1162 8.6731 119.6658 58.0622 28.1733 177.7906 94 A 2.6670 8.1501 122.4678 54.6179 18.4354 178.7686 95 T 3.9915 7.6078 108.9878 62.3848 68.2691 175.3478 96 K 4.1024 7.5089 120.4303 58.6880 32.9545 177.1761 97 H 4.2654 8.1584 115.1425 56.4086 29.3803 175.6973 98 K 3.1904 7.4464 117.0128 56.9991 28.6233 174.6871 99 I 4.3536 7.9120 118.5967 58.5582 38.6482 174.9108 100 P 4.6398 0.0000 0.0000 62.3297 32.1051 177.3199 101 I 3.6263 8.7618 121.8576 64.5892 36.9337 178.4112 102 K 3.5454 8.0046 119.7720 60.0601 31.8244 178.1797 103 Y 4.3469 8.0555 116.5208 60.9317 37.8538 178.3975 104 L 4.2432 7.8940 119.7982 57.6164 41.8263 179.0524 105 E 4.0427 8.3506 118.9915 59.3668 29.3967 179.2905 106 F 4.4853 8.0157 117.8621 60.8737 38.9792 177.6503 107 I 3.8824 8.1453 117.9629 63.8568 37.7344 178.1210 108 S 4.2094 8.1555 116.1768 61.4744 62.6594 176.1365 109 E 4.0209 8.3706 121.8407 59.2703 29.4379 178.7676 110 A 4.0357 8.1389 120.8946 55.0032 18.3655 179.6735 111 I 3.6827 8.0181 118.4765 64.6577 37.1583 178.6917 112 I 3.8086 7.8740 120.5842 64.5827 36.9537 177.8663 113 H 4.1284 8.3668 119.0443 59.3754 29.6094 177.5013 114 V 3.5388 7.8923 119.8113 66.0227 31.3747 177.8932 115 L 3.7597 7.7877 118.7847 57.9695 41.0337 179.0707 116 H 4.3906 7.9639 117.3547 59.4057 29.8980 177.2865 117 S 4.1779 7.9537 116.1033 61.4511 62.7809 176.3400 118 R 4.0996 8.0014 119.4047 57.4163 31.3324 176.4675 119 H 5.0088 8.4356 115.9295 53.8078 29.5823 172.6893 120 P 4.2811 0.0000 0.0000 65.8028 31.8360 179.5953 121 G 3.6107 8.1547 106.7323 47.5233 0.0000 173.6830 122 N 5.0111 8.3410 115.2436 52.9365 39.4581 174.8657 123 F 4.8506 7.8002 119.6638 56.3087 39.6799 174.2930 124 G 3.9069 7.6943 108.8767 43.9041 0.0000 172.1182 125 A 3.8756 8.3769 120.6729 55.3079 18.3288 179.5293 126 D 4.1959 8.0164 116.5758 57.5779 40.9096 178.8383 127 A 3.8991 7.7868 120.5834 55.0650 18.4137 179.2810 128 Q 3.0419 7.7020 118.1882 58.7759 28.9631 178.4582 129 G 3.6011 8.0409 106.7076 47.9464 0.0000 175.3740 130 A 3.8343 7.9654 123.6986 54.8431 18.2898 179.4146 131 M 3.9836 8.2022 116.8391 58.6101 32.2678 177.7338 132 N 4.2868 8.6299 117.6200 56.8749 39.0918 176.8327 133 K 3.8422 8.2137 119.6234 59.4405 32.1058 179.1979 134 A 3.8329 7.9885 120.9702 55.1605 18.2142 179.7570 135 L 4.1111 8.3060 117.8146 57.8178 41.6724 179.5632 136 E 3.9891 8.5320 119.0133 59.1421 29.4003 179.0331 137 L 3.9253 8.1261 120.4368 58.1396 42.1485 178.3500 138 F 4.1892 8.3540 120.5538 61.8543 39.1477 177.3682 139 R 3.4656 8.3783 117.4893 58.8672 29.8578 178.9955 140 K 3.8002 8.3799 119.6996 59.7064 32.1028 178.5895 141 D 4.3214 8.0709 119.0426 57.4538 40.6276 178.9341 142 I 3.4503 7.7785 120.5240 64.0148 36.9356 178.3375 143 A 3.6093 7.9182 121.7083 54.9512 18.1988 179.5592 144 A 3.9663 7.8848 119.2894 55.0991 18.3974 180.0518 145 K 4.1792 7.7181 117.2833 59.5187 32.1149 178.9458 146 Y 4.4387 8.2984 117.4907 61.2377 37.8963 178.6680 147 K 3.8959 8.1159 120.1933 59.8825 32.0829 178.6626 148 E 4.0610 8.0002 117.1327 59.1217 29.4222 178.7909 149 L 4.2939 7.8757 117.7144 55.6200 41.8873 177.8924 150 G 4.0339 7.9509 106.8966 45.4109 0.0000 172.9033 151 Y 4.3848 8.5813 120.2326 59.0924 39.9908 177.1290 152 Q 3.4201 7.4405 116.0978 58.0348 27.9688 173.2233 153 G 3.6804 6.1085 110.2378 43.8759 0.0000 174.9798 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 0 M 8.30 4.45 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 1 V 7.84 4.25 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 0.90 0.00 0.00 0.95 0.00 0.00 2 L 8.32 4.24 0.00 0.92 0.59 0.59 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.72 4.52 0.00 4.06 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 4 E 8.83 4.30 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 2.43 2.52 0.00 5 G 8.11 3.63 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 0.00 0.00 0.00 6 E 7.97 3.86 0.00 1.86 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 2.21 2.25 0.00 7 W 7.97 4.45 0.00 3.59 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 8 Q 8.56 4.13 0.00 2.34 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.68 0.00 9 L 8.04 4.04 0.00 1.87 1.74 0.89 0.84 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 7.97 3.76 2.44 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 1.20 0.00 0.00 0.92 0.00 0.00 11 L 8.59 4.30 0.00 1.84 1.82 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.67 4.24 0.00 3.38 3.42 0.00 5.78 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.73 3.55 2.42 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 1.08 0.00 0.00 0.89 0.00 0.00 14 W 8.55 3.86 0.00 3.67 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 7.92 3.98 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 7.27 3.92 0.00 1.37 1.66 0.00 1.64 0.00 0.00 1.47 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.47 7.81 17 V 7.14 2.80 0.99 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 -0.12 0.00 0.00 0.40 0.00 0.00 18 E 7.52 3.88 0.00 1.99 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 2.22 2.05 0.00 19 A 7.48 4.24 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 7.85 4.65 0.00 2.69 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 7.92 3.46 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 1.05 0.00 0.00 0.88 0.00 0.00 22 A 8.00 4.09 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 8.27 3.72 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 0.00 0.00 0.00 24 H 8.42 4.26 0.00 3.09 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 8.45 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 8.06 3.85 0.00 2.37 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 27 D 7.97 4.28 0.00 2.82 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 7.76 3.61 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.68 0.86 0.00 0.00 29 L 7.79 3.45 0.00 1.48 1.12 0.72 0.28 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 30 I 7.45 3.67 1.86 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 1.40 0.78 0.89 0.00 0.00 31 R 7.83 3.75 0.00 1.93 2.04 0.00 3.01 0.00 0.00 2.83 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 32 L 7.92 3.84 0.00 1.60 1.36 1.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.05 4.54 0.00 3.16 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 34 K 8.10 4.08 0.00 1.76 1.82 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.58 7.81 35 S 8.04 4.23 0.00 3.79 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 36 H 8.17 4.74 0.00 2.77 2.79 0.00 5.64 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 37 P 0.00 4.73 0.00 2.14 2.11 0.00 3.82 0.00 0.00 3.67 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 8.31 4.11 0.00 2.30 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 2.34 2.55 0.00 39 T 8.27 3.75 4.41 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 0.75 0.00 0.00 40 L 8.08 3.85 0.00 1.42 1.73 0.04 0.67 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 41 E 8.08 4.14 0.00 2.23 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 0.00 2.41 2.56 0.00 42 K 8.19 4.41 0.00 1.75 1.69 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.77 1.97 7.81 43 F 8.28 4.53 0.00 3.36 3.39 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 44 D 8.64 4.40 0.00 2.64 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.79 3.83 0.00 0.86 0.70 0.00 3.10 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.46 0.00 46 F 7.62 4.90 0.00 2.97 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.33 3.83 0.00 1.95 1.93 0.00 1.98 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.45 7.81 48 H 8.16 4.46 0.00 3.33 3.42 0.00 5.59 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 7.39 3.96 0.00 1.54 1.59 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.24 4.24 0.00 1.78 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.49 7.81 51 T 7.44 4.72 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 8.62 3.92 0.00 2.04 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 2.36 2.36 0.00 53 A 7.92 3.98 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 7.88 3.97 0.00 2.09 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 2.34 0.00 55 M 7.94 4.19 0.00 2.08 2.27 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 2.71 2.56 0.00 56 K 8.03 3.95 0.00 1.83 1.85 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.43 7.81 57 A 7.94 4.36 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 58 S 7.51 4.25 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 59 E 8.90 4.03 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 2.50 0.00 60 D 8.15 4.52 0.00 3.11 3.09 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 61 L 8.13 3.25 0.00 1.27 1.45 -0.11 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.82 3.83 0.00 1.83 1.94 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 K 8.13 4.03 0.00 2.05 1.89 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.87 7.81 64 L 8.06 4.10 0.00 1.91 1.75 1.12 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.23 3.74 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 0.00 0.00 0.00 66 V 7.68 3.60 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 0.96 0.00 0.00 67 T 7.87 3.88 4.49 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 0.00 0.00 0.00 1.29 0.00 0.00 68 V 8.33 3.63 2.17 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 1.10 0.00 0.00 1.13 0.00 0.00 69 L 8.04 4.19 0.00 1.82 1.88 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.32 3.96 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 1.26 0.00 0.00 71 A 8.09 4.01 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 72 L 8.16 3.69 0.00 1.60 1.76 0.27 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.60 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 0.00 0.00 0.00 74 A 7.74 4.00 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 7.39 3.76 1.81 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 1.53 0.85 0.86 0.00 0.00 76 L 7.89 3.95 0.00 1.30 1.52 -0.12 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.68 3.86 0.00 1.65 1.80 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.48 7.81 78 K 7.78 3.96 0.00 1.82 1.81 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.64 1.76 7.81 79 K 8.35 2.00 0.00 1.20 0.74 0.00 1.45 0.00 0.00 1.41 0.00 0.00 2.73 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.38 0.80 7.81 80 G 7.94 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 0.00 0.00 0.00 0.00 81 H 7.48 4.56 0.00 3.17 3.22 0.00 5.79 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.33 5.39 0.00 3.28 3.44 0.00 5.66 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.59 3.93 0.00 2.07 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 2.41 2.42 0.00 84 A 7.89 4.10 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 85 E 8.14 4.08 0.00 2.21 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 2.40 2.43 0.00 86 L 8.37 4.17 0.00 2.01 1.69 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.73 3.97 0.00 1.91 1.87 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.66 7.81 88 P 0.00 4.28 0.00 2.30 2.33 0.00 3.86 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 7.47 3.99 0.00 1.88 1.93 0.91 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.43 4.24 1.50 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 0.00 0.00 91 Q 8.29 3.90 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 92 S 8.29 4.01 0.00 3.94 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 93 H 8.67 4.12 0.00 3.62 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 8.15 2.67 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.61 3.99 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 1.13 0.00 0.00 96 K 7.51 4.10 0.00 1.58 1.72 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.20 1.25 7.81 97 H 8.16 4.27 0.00 2.98 3.09 0.00 5.86 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 98 K 7.45 3.19 0.00 1.73 1.71 0.00 1.32 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.20 1.20 7.81 99 I 7.91 4.35 2.11 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.93 1.17 0.00 0.00 100 P 0.00 4.64 0.00 1.96 1.98 0.00 3.34 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 0.91 1.16 0.00 101 I 8.76 3.63 1.87 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.81 0.81 0.00 0.00 102 K 8.00 3.55 0.00 1.69 1.63 0.00 1.08 0.00 0.00 1.60 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 0.74 7.81 103 Y 8.06 4.35 0.00 3.27 3.09 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 0.00 104 L 7.89 4.24 0.00 1.86 1.79 0.75 1.18 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 0.00 105 E 8.35 4.04 0.00 2.02 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 2.31 2.47 0.00 106 F 8.02 4.49 0.00 3.28 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 0.00 107 I 8.15 3.88 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.36 1.09 0.00 0.00 108 S 8.16 4.21 0.00 4.21 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 0.00 109 E 8.37 4.02 0.00 2.18 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 2.37 2.41 0.00 110 A 8.14 4.04 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 0.00 111 I 8.02 3.68 2.11 0.00 0.00 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 1.60 0.77 1.04 0.00 0.00 112 I 7.87 3.81 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 1.72 0.86 1.15 0.00 0.00 113 H 8.37 4.13 0.00 3.35 3.41 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.89 3.54 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 1.00 0.00 0.00 0.99 0.00 0.00 115 L 7.79 3.76 0.00 0.80 0.13 0.85 0.71 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 0.00 116 H 7.96 4.39 0.00 3.47 3.63 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.95 4.18 0.00 3.91 3.83 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 0.00 118 R 8.00 4.10 0.00 1.58 1.57 0.00 3.09 0.00 0.00 2.96 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 119 H 8.44 5.01 0.00 3.16 3.17 0.00 5.62 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 4.28 0.00 2.21 2.27 0.00 3.76 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 2.06 1.93 0.00 121 G 8.15 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 0.00 122 N 8.34 5.01 0.00 2.77 2.92 0.00 0.00 6.68 8.25 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 0.00 123 F 7.80 4.85 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 7.69 3.91 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 0.00 125 A 8.38 3.88 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 0.00 126 D 8.02 4.20 0.00 2.65 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 0.00 127 A 7.79 3.90 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 0.00 128 Q 7.70 3.04 0.00 1.31 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 129 G 8.04 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.97 3.83 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 0.00 131 M 8.20 3.98 0.00 2.48 2.34 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.92 0.00 132 N 8.63 4.29 0.00 2.88 2.93 0.00 0.00 7.24 7.29 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 0.00 133 K 8.21 3.84 0.00 1.95 1.64 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.47 7.81 134 A 7.99 3.83 1.15 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 0.00 0.00 135 L 8.31 4.11 0.00 1.75 1.83 1.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.53 3.99 0.00 2.14 1.99 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 2.34 2.66 0.00 137 L 8.13 3.93 0.00 1.85 1.96 1.08 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.35 4.19 0.00 3.12 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 0.00 139 R 8.38 3.47 0.00 1.95 1.84 0.00 3.17 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.97 0.00 140 K 8.38 3.80 0.00 1.84 1.94 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.44 7.81 141 D 8.07 4.32 0.00 2.91 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 0.00 142 I 7.78 3.45 1.26 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 -0.18 0.12 0.00 0.00 143 A 7.92 3.61 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 0.00 144 A 7.88 3.97 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 7.72 4.18 0.00 1.88 1.93 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.62 7.81 146 Y 8.30 4.44 0.00 3.11 3.13 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 0.00 0.00 0.00 147 K 8.12 3.90 0.00 1.90 2.00 0.00 1.82 0.00 0.00 1.57 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.54 7.81 148 E 8.00 4.06 0.00 2.17 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 2.36 2.56 0.00 149 L 7.88 4.29 0.00 1.86 1.74 1.00 0.83 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 0.00 150 G 7.95 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 0.00 151 Y 8.58 4.38 0.00 2.77 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 0.00 152 Q 7.44 3.42 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.38 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 153 G 6.11 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