NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 4.0146 8.3393 109.7488 45.9623 0.0000 173.9964 0 S 4.4899 8.3789 110.9390 58.2418 64.0026 174.4129 1 M 4.0599 8.5663 125.2855 59.4958 32.6080 177.4632 2 A 4.1352 8.2155 120.8582 55.2247 18.5117 179.0549 3 L 3.8420 7.8669 118.4328 58.2880 42.2232 179.0836 4 K 4.2219 8.0200 120.3407 58.8969 32.0946 178.5809 5 R 3.8429 8.5414 119.2967 59.5722 30.0235 178.5476 6 I 3.4669 8.2549 119.9254 64.3611 36.6865 178.4246 7 Q 3.9759 8.3466 119.2343 58.7404 28.5284 178.8887 8 K 3.9666 8.0214 120.4909 59.5201 32.3334 178.4722 9 E 4.0212 8.4782 119.2906 59.6095 29.3809 179.0557 10 L 3.9609 8.3048 120.1416 58.3191 41.9023 178.8569 11 Q 3.9653 7.8872 117.5820 59.2346 28.7193 178.8019 12 D 4.2998 8.1057 119.4239 57.3690 40.9646 178.2962 13 L 3.9845 8.4560 121.0659 58.7821 41.8251 179.1464 14 Q 4.0923 8.2159 116.1442 58.2119 28.7677 178.0042 15 R 4.4113 7.5713 117.8549 57.1742 31.4521 176.9054 16 D 4.7377 7.7329 117.7535 52.6031 42.8129 172.7217 17 P 4.9181 0.0000 0.0000 60.2652 32.8006 174.8794 18 P 4.2998 0.0000 0.0000 62.4333 31.8999 175.9913 19 A 4.2645 8.3507 124.4518 53.9130 19.0256 178.4033 20 Q 3.9080 8.8936 118.8052 56.2039 27.5841 173.0763 21 C 5.2974 7.5880 114.2781 58.5356 30.9565 172.8265 22 S 4.7347 8.4021 112.5143 57.9428 65.6833 172.9158 23 A 4.9662 7.8832 124.5856 51.4897 22.0186 175.4774 24 G 3.6707 8.0313 104.4865 44.6299 0.0000 171.5271 25 P 4.3175 0.0000 0.0000 62.9940 31.7284 175.4941 26 V 3.7180 9.2355 121.9200 64.7582 32.9487 179.4841 27 G 4.3544 7.7466 115.4962 45.6955 0.0000 173.8618 28 D 4.8528 8.9886 121.5843 53.7607 41.2316 176.0522 29 D 4.7446 7.7853 121.5443 52.9176 39.6709 176.5725 30 L 4.4185 8.4456 122.7065 55.9342 41.9486 177.8752 31 F 4.4082 8.6558 117.4865 57.6727 39.8462 174.3698 32 H 5.2489 8.8179 121.7742 54.4283 31.6995 172.4603 33 W 5.3951 9.3417 126.0215 54.9600 33.0764 174.7695 34 Q 5.0503 9.0108 121.4539 54.5041 31.9882 173.7663 35 A 5.3572 9.1212 126.9364 50.3544 22.9349 174.7980 36 T 5.0460 8.9189 109.5690 59.9308 72.6661 172.9469 37 I 4.8397 8.8182 123.6675 59.9045 41.3502 174.2589 38 M 4.7876 8.6771 126.6434 54.0423 32.7359 176.3612 39 G 4.2007 9.1265 111.2028 46.4076 0.0000 171.6034 40 P 4.7321 0.0000 0.0000 62.6952 32.2273 176.8424 41 S 4.6689 8.4969 113.5975 59.3460 63.4479 174.4291 42 D 4.8015 7.6657 117.9294 56.7839 42.8566 176.1595 43 S 3.9206 7.2095 112.9698 54.7518 65.4824 172.8927 44 P 4.3767 0.0000 0.0000 64.4114 31.3119 177.1832 45 Y 4.9282 7.3860 115.9490 58.5806 38.4046 175.1000 46 Q 4.7924 7.0011 119.9944 57.2361 29.3866 177.6514 47 G 3.9834 9.1528 112.3348 45.3109 0.0000 173.2527 48 G 4.0144 8.0403 107.1476 44.7343 0.0000 173.1904 49 V 4.5719 7.8876 120.6261 60.9045 33.4632 174.7045 50 F 4.7449 9.2074 127.4729 55.7668 41.3033 174.8677 51 F 5.4151 8.7639 121.3620 55.5886 41.8533 174.4289 52 L 5.0831 9.2077 123.1707 54.2378 44.4362 175.0987 53 T 5.0804 8.6866 110.3247 60.0535 71.5442 173.0325 54 I 4.7159 8.7815 125.9451 59.7483 40.2138 174.0532 55 H 5.0702 8.7538 124.9071 53.8549 31.2484 173.3545 56 F 4.4772 8.8038 124.1210 55.4450 39.4235 174.5640 57 P 4.5117 0.0000 0.0000 62.5527 31.8649 177.3214 58 T 3.9590 8.7016 110.7685 64.5487 68.7839 173.9992 59 D 5.0817 7.9704 120.9885 53.1266 40.2806 175.6702 60 Y 4.5040 8.0249 120.5899 58.4039 39.5567 172.9167 61 P 3.3928 0.0000 0.0000 62.3280 31.4903 177.4789 62 F 4.6315 7.5238 118.3757 59.5203 39.1537 175.7249 63 K 4.8040 7.8539 119.0129 53.5062 35.0298 174.0247 64 P 2.9700 0.0000 0.0000 60.9117 32.1595 174.0537 65 P 4.1292 0.0000 0.0000 62.2463 32.7344 176.1678 66 K 4.1656 8.5337 121.6768 55.5233 32.9043 175.8152 67 V 4.7058 8.1483 125.4205 60.9043 33.2835 174.6355 68 A 5.0534 8.6825 128.8058 50.0926 23.1793 174.7733 69 F 4.6083 9.3811 120.6536 57.7992 39.6403 176.4328 70 T 4.5997 9.8684 114.8979 62.1708 69.8251 174.9541 71 T 4.6986 8.0404 112.2294 59.4827 70.8435 174.3442 72 K 4.2298 8.4196 124.8863 56.6790 32.8856 176.0329 73 I 4.9422 8.1870 124.0600 59.9361 40.8705 174.1336 74 Y 3.6337 8.8817 128.9564 56.7326 37.1391 173.4276 75 H 4.8193 7.5699 125.1831 53.6385 33.2976 172.7342 76 P 4.1657 0.0000 0.0000 65.1712 31.5460 177.2333 77 N 4.7483 8.3168 114.1923 52.7367 39.1328 173.8761 78 I 4.7361 7.1302 118.8464 59.2876 39.5830 175.2616 79 N 4.7443 8.6195 124.0931 50.9500 39.0464 175.9440 80 S 4.2176 8.7035 112.5965 60.9519 62.6153 174.8154 81 N 4.8227 8.5132 119.0575 52.3996 37.4117 175.8811 82 G 4.9358 7.9957 102.8630 46.8664 0.0000 173.4959 83 S 4.6322 7.7706 116.1646 58.1279 64.0313 173.1912 84 I 4.6535 8.3408 124.7331 59.8212 39.2097 175.2024 85 C 4.3874 8.9957 128.5552 57.9271 31.2247 172.5267 86 L 4.5596 8.1863 127.0764 53.2332 42.8910 177.6094 87 D 4.4062 7.9152 124.8252 55.7858 40.9404 179.5714 88 I 4.1428 7.9624 120.0799 62.8089 38.0328 176.5270 89 L 4.7212 8.9282 119.0003 54.9110 44.0035 176.6707 90 R 4.3774 8.4655 117.6701 56.1676 29.7679 178.4144 91 S 4.3306 9.4235 110.6311 61.0361 63.5121 174.8241 92 Q 4.4855 7.9580 118.4096 55.4534 28.6165 175.2799 93 W 4.5953 7.5801 126.5225 56.6228 31.5448 175.5351 94 S 4.1695 6.4732 118.0196 55.4307 64.6982 172.8515 95 P 4.6251 0.0000 0.0000 64.3096 31.2322 177.2813 96 A 3.9999 7.0198 120.1315 53.9934 18.6684 177.9205 97 L 4.1653 7.2359 115.8043 54.7037 42.4614 176.5623 98 T 5.0223 7.9583 109.5458 59.2218 73.2317 174.8335 99 V 3.6730 9.0698 121.2246 66.4327 31.4342 178.0177 100 S 4.0574 8.3203 112.2383 61.4743 62.0693 176.3458 101 K 4.0131 7.7892 120.1849 59.3947 31.8127 179.3860 102 V 3.6424 7.9303 118.4918 66.0522 31.4195 177.8073 103 L 3.9749 8.6834 119.4894 58.0109 41.5576 179.4637 104 L 4.0058 7.9837 118.5639 57.9784 41.4817 179.6689 105 S 4.1236 8.3003 114.9786 61.9317 62.6384 176.5986 106 I 3.6052 7.6880 120.9586 64.9898 37.0704 177.9341 107 C 4.2747 8.0811 117.3987 62.9148 28.0284 176.2074 108 S 3.9679 8.2549 115.7217 61.5212 62.2242 175.9178 109 L 4.0717 8.5079 122.6267 56.7909 41.8744 177.8708 110 L 4.2884 8.3041 118.1051 57.0153 42.1368 177.9077 111 C 4.6645 7.9546 115.0955 60.7074 29.5640 173.6510 112 D 4.7609 8.0112 119.3989 51.3135 41.5116 173.1722 113 P 4.3273 0.0000 0.0000 62.4719 32.1620 176.3129 114 N 4.8207 8.0884 119.7122 50.7678 38.5229 173.0682 115 P 4.3212 0.0000 0.0000 64.8674 31.8691 178.2753 116 D 4.4862 8.0538 117.7894 56.2984 41.2601 175.8251 117 D 4.7520 7.4877 117.8613 51.4807 40.7386 172.2725 118 P 4.5812 0.0000 0.0000 62.3376 32.8648 176.2292 119 L 4.6118 8.0118 115.0668 55.2743 46.5099 175.5817 120 V 4.2893 7.4345 117.6944 58.8807 31.5253 173.6520 121 P 4.1697 0.0000 0.0000 65.2756 31.4777 176.7223 122 D 4.6255 8.2188 116.8323 57.9886 40.8279 179.3329 123 I 3.6510 7.6680 119.0187 64.1622 36.9843 178.2750 124 A 3.9544 7.9654 121.7614 55.3421 18.1904 179.0607 125 H 4.0285 9.0169 117.7974 59.6286 29.8519 177.4297 126 I 3.8225 8.4485 121.0779 64.5882 36.9805 177.7160 127 Y 4.0903 7.8738 119.6177 60.5664 38.7467 177.3967 128 K 3.8259 7.9120 118.2304 57.7889 32.4907 178.4386 129 S 4.0557 8.3023 113.8290 59.4592 63.5892 177.2148 130 D 4.6895 9.0461 118.6934 53.9276 37.3843 173.8534 131 K 4.1519 7.8287 123.6382 58.6106 32.6012 177.3442 132 E 3.9967 8.0975 119.6905 59.1647 29.6901 178.3569 133 K 3.9988 8.8270 120.0552 59.2039 32.1013 178.1613 134 Y 4.1561 7.7398 119.9131 61.0076 38.8228 177.8797 135 N 4.1342 8.0999 116.5873 55.9846 38.4478 177.4597 136 R 3.7888 7.6598 120.2543 59.5932 30.1787 178.6955 137 L 3.8423 7.6245 118.2483 56.9871 41.3899 179.4464 138 A 3.7422 7.6159 121.4383 55.1729 18.3405 179.7669 139 R 4.4741 7.8282 118.4252 58.6703 30.0473 178.4408 140 E 3.9017 7.8388 119.2721 59.1771 29.7535 178.7911 141 W 4.1924 8.7309 119.3055 59.9845 29.2247 178.5826 142 T 4.1416 8.4426 115.7730 67.1244 67.7960 176.7276 143 Q 4.0247 8.0079 118.2551 58.5115 28.7404 178.1732 144 K 3.9344 7.7747 119.5776 57.7348 32.3848 176.6852 145 Y 4.8259 8.4758 113.7245 57.4195 40.0193 175.8115 146 A 4.5670 8.6282 121.5271 51.6409 20.0636 176.1188 147 M 4.2726 7.9436 121.4644 55.6404 32.4950 175.7244 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 G 8.34 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 0 S 8.38 4.49 0.00 4.24 4.14 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.57 4.06 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.58 0.00 2 A 8.22 4.14 1.72 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 3 L 7.87 3.84 0.00 1.99 2.01 1.04 0.61 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 4 K 8.02 4.22 0.00 1.89 1.90 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.38 7.81 5 R 8.54 3.84 0.00 1.87 2.18 0.00 3.21 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.81 0.00 6 I 8.25 3.47 1.54 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 0.50 0.30 0.33 0.00 0.00 7 Q 8.35 3.98 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 8 K 8.02 3.97 0.00 1.90 1.97 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.54 7.81 9 E 8.48 4.02 0.00 2.35 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 0.00 2.44 2.43 0.00 10 L 8.30 3.96 0.00 1.83 1.84 -0.09 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 7.89 3.97 0.00 2.39 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 12 D 8.11 4.30 0.00 2.88 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 13 L 8.46 3.98 0.00 1.87 2.00 0.95 0.83 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 14 Q 8.22 4.09 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 15 R 7.57 4.41 0.00 1.74 1.98 0.00 3.15 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 16 D 7.73 4.74 0.00 2.62 2.56 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 17 P 0.00 4.92 0.00 2.05 1.99 0.00 3.75 0.00 0.00 4.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.31 0.00 18 P 0.00 4.30 0.00 2.20 2.01 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 19 A 8.35 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 20 Q 8.89 3.91 0.00 2.31 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.67 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 21 C 7.59 5.30 0.00 2.98 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 22 S 8.40 4.73 0.00 3.82 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 23 A 7.88 4.97 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 24 G 8.03 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.32 0.00 2.02 1.84 0.00 3.35 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.72 0.00 26 V 9.24 3.72 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 0.72 0.00 0.00 0.68 0.00 0.00 27 G 7.75 4.35 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 0.00 28 D 8.99 4.85 0.00 2.67 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 7.79 4.74 0.00 2.77 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 30 L 8.45 4.42 0.00 1.75 1.69 0.93 0.89 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 31 F 8.66 4.41 0.00 3.36 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 32 H 8.82 5.25 0.00 3.28 3.26 0.00 5.73 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 W 9.34 5.40 0.00 3.18 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 34 Q 9.01 5.05 0.00 2.10 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 35 A 9.12 5.36 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 36 T 8.92 5.05 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 1.38 0.00 0.00 37 I 8.82 4.84 1.91 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.66 0.95 0.00 0.00 38 M 8.68 4.79 0.00 1.99 2.05 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 2.61 2.64 0.00 39 G 9.13 4.20 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 0.00 0.00 0.00 40 P 0.00 4.73 0.00 2.29 2.08 0.00 3.73 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 41 S 8.50 4.67 0.00 3.89 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 42 D 7.67 4.80 0.00 2.68 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 43 S 7.21 3.92 0.00 4.36 4.13 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 44 P 0.00 4.38 0.00 1.98 2.14 0.00 3.47 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 1.04 1.66 0.00 45 Y 7.39 4.93 0.00 3.21 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 46 Q 7.00 4.79 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.59 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 47 G 9.15 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 0.00 0.00 0.00 48 G 8.04 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 49 V 7.89 4.57 1.86 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 0.35 0.00 0.00 0.86 0.00 0.00 50 F 9.21 4.74 0.00 2.94 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 51 F 8.76 5.42 0.00 3.01 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 52 L 9.21 5.08 0.00 1.45 1.62 0.47 -0.45 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 53 T 8.69 5.08 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 1.32 0.00 0.00 54 I 8.78 4.72 1.67 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.74 -0.20 0.00 0.00 55 H 8.75 5.07 0.00 2.96 3.13 0.00 5.80 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.80 4.48 0.00 2.61 2.46 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 57 P 0.00 4.51 0.00 2.51 2.20 0.00 3.73 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 2.30 2.16 0.00 58 T 8.70 3.96 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 1.09 0.00 0.00 59 D 7.97 5.08 0.00 3.09 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 60 Y 8.02 4.50 0.00 3.25 2.99 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 61 P 0.00 3.39 0.00 1.78 1.24 0.00 2.68 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.43 0.00 62 F 7.52 4.63 0.00 3.39 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 63 K 7.85 4.80 0.00 1.79 1.68 0.00 1.80 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.68 7.81 64 P 0.00 2.97 0.00 1.74 1.40 0.00 3.65 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 1.75 1.85 0.00 65 P 0.00 4.13 0.00 1.32 1.21 0.00 2.49 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 66 K 8.53 4.17 0.00 1.77 1.70 0.00 1.38 0.00 0.00 1.48 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.32 7.81 67 V 8.15 4.71 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 0.70 0.00 0.00 0.71 0.00 0.00 68 A 8.68 5.05 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 69 F 9.38 4.61 0.00 2.95 3.28 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 70 T 9.87 4.60 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 1.27 0.00 0.00 71 T 8.04 4.70 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 72 K 8.42 4.23 0.00 1.33 1.22 0.00 0.84 0.00 0.00 0.61 0.00 0.00 2.52 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.57 1.43 7.81 73 I 8.19 4.94 2.00 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.01 0.43 0.00 0.00 74 Y 8.88 3.63 0.00 1.84 2.59 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 75 H 7.57 4.82 0.00 2.91 2.73 0.00 5.73 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.17 0.00 2.06 2.07 0.00 3.16 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.29 0.00 77 N 8.32 4.75 0.00 2.64 2.93 0.00 0.00 6.93 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 78 I 7.13 4.74 1.44 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.12 0.43 0.00 0.00 79 N 8.62 4.74 0.00 2.93 2.93 0.00 0.00 6.27 6.68 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 80 S 8.70 4.22 0.00 4.04 4.14 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.51 4.82 0.00 2.98 3.05 0.00 0.00 6.81 7.10 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 82 G 8.00 4.94 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 83 S 7.77 4.63 0.00 3.85 3.78 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 84 I 8.34 4.65 1.90 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.87 0.92 0.00 0.00 85 C 9.00 4.39 0.00 2.89 2.82 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 0.00 0.00 0.00 0.00 86 L 8.19 4.56 0.00 1.69 1.48 0.92 1.19 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 87 D 7.92 4.41 0.00 2.91 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 88 I 7.96 4.14 1.93 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 1.64 1.39 1.06 0.00 0.00 89 L 8.93 4.72 0.00 1.70 1.67 0.90 0.69 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 90 R 8.47 4.38 0.00 1.77 1.36 0.00 3.10 0.00 0.00 3.24 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 91 S 9.42 4.33 0.00 4.05 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 92 Q 7.96 4.49 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 93 W 7.58 4.60 0.00 3.51 3.03 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 94 S 6.47 4.17 0.00 3.55 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 95 P 0.00 4.63 0.00 1.95 1.85 0.00 3.59 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 96 A 7.02 4.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.24 4.17 0.00 0.65 1.45 0.69 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 98 T 7.96 5.02 4.56 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 1.27 0.00 0.00 99 V 9.07 3.67 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 1.03 0.00 0.00 0.93 0.00 0.00 100 S 8.32 4.06 0.00 4.03 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 0.00 101 K 7.79 4.01 0.00 2.10 1.88 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.59 7.81 102 V 7.93 3.64 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 1.12 0.00 0.00 1.18 0.00 0.00 103 L 8.68 3.97 0.00 1.96 1.75 1.01 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.98 4.01 0.00 1.90 1.75 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.30 4.12 0.00 4.07 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 0.00 106 I 7.69 3.61 2.05 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.68 1.05 0.00 0.00 107 C 8.08 4.27 0.00 3.21 2.99 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 0.00 108 S 8.25 3.97 0.00 4.07 4.15 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 0.00 109 L 8.51 4.07 0.00 1.71 1.90 0.90 0.93 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 0.00 110 L 8.30 4.29 0.00 1.80 1.58 0.65 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 111 C 7.95 4.66 0.00 2.99 3.05 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 0.00 112 D 8.01 4.76 0.00 2.61 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 0.00 113 P 0.00 4.33 0.00 0.81 1.29 0.00 3.47 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.87 0.00 114 N 8.09 4.82 0.00 2.73 2.63 0.00 0.00 6.74 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 0.00 115 P 0.00 4.32 0.00 2.32 2.44 0.00 3.88 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 2.08 2.34 0.00 116 D 8.05 4.49 0.00 2.69 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 0.00 117 D 7.49 4.75 0.00 2.50 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 0.00 118 P 0.00 4.58 0.00 2.19 2.05 0.00 3.85 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 119 L 8.01 4.61 0.00 1.52 1.70 0.94 0.78 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 0.00 120 V 7.43 4.29 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 0.85 0.00 0.00 0.90 0.00 0.00 121 P 0.00 4.17 0.00 2.19 2.10 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 122 D 8.22 4.63 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 0.00 123 I 7.67 3.65 1.72 0.00 0.00 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 0.55 0.41 0.48 0.00 0.00 124 A 7.97 3.95 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 0.00 125 H 9.02 4.03 0.00 3.23 3.51 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 I 8.45 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 1.82 1.09 1.13 0.00 0.00 127 Y 7.87 4.09 0.00 2.70 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 0.00 128 K 7.91 3.83 0.00 1.80 1.76 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.18 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.72 7.81 129 S 8.30 4.06 0.00 4.00 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 0.00 130 D 9.05 4.69 0.00 2.76 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 7.83 4.15 0.00 1.78 1.69 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.11 0.92 7.81 132 E 8.10 4.00 0.00 2.08 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 0.00 2.38 2.37 0.00 133 K 8.83 4.00 0.00 2.10 2.08 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.45 7.81 134 Y 7.74 4.16 0.00 3.28 3.28 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 0.00 135 N 8.10 4.13 0.00 2.81 2.83 0.00 0.00 6.76 7.54 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 0.00 136 R 7.66 3.79 0.00 1.88 2.06 0.00 3.17 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 137 L 7.62 3.84 0.00 0.70 0.37 0.66 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.62 3.74 0.66 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 0.00 0.00 139 R 7.83 4.47 0.00 1.81 1.98 0.00 3.12 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.49 0.00 140 E 7.84 3.90 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 141 W 8.73 4.19 0.00 3.75 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 0.00 142 T 8.44 4.14 4.56 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 1.44 0.00 0.00 143 Q 8.01 4.02 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 144 K 7.77 3.93 0.00 1.39 1.08 0.00 1.06 0.00 0.00 1.30 0.00 0.00 2.79 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 0.96 7.81 145 Y 8.48 4.83 0.00 3.15 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 0.00 146 A 8.63 4.57 0.77 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 0.00 0.00 147 M 7.94 4.27 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.63 0.00