NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4320 8.1693 120.6402 55.0863 43.1151 175.2935 8 H 4.9351 8.0223 114.4584 53.4939 31.6406 171.5554 9 K 4.6263 9.4417 120.4574 56.4274 33.5658 177.3037 10 E 4.9272 9.2243 121.7324 54.0808 34.1756 173.5163 11 P 5.0436 0.0000 0.0000 62.8894 32.4214 175.2402 12 A 4.9413 8.4034 122.1460 51.3424 23.0377 175.6141 13 T 4.6306 8.5648 115.2759 61.2343 71.8940 173.9319 14 L 4.2331 8.7348 128.3222 56.0285 42.3046 175.7578 15 I 4.3676 8.7230 126.7194 62.4691 38.9426 176.1207 16 K 4.5590 7.6189 120.7946 55.2379 35.6148 174.1060 17 A 4.5628 8.6951 130.6512 51.9672 19.4298 176.7893 18 I 4.1487 8.4223 123.9776 62.8629 38.0297 174.9852 19 D 4.6187 7.5854 117.0385 52.8561 44.0544 175.1363 20 G 3.8338 8.8799 108.7433 48.1431 0.0000 173.9957 21 D 4.9616 8.1200 116.3979 52.7203 40.1996 174.7115 22 T 5.2176 7.8436 115.9507 62.2971 72.3668 173.3548 23 V 4.9027 8.7121 118.5469 59.4375 36.1814 174.3893 24 K 4.9263 9.2182 126.8879 55.6556 33.5790 175.4375 25 L 5.3192 9.3615 126.7492 53.1233 46.6265 175.4783 26 M 4.9478 9.1548 122.4965 55.1046 33.3734 174.2923 27 Y 4.9843 9.4607 128.9224 55.7594 41.4957 175.8383 28 K 3.7504 9.1186 127.9754 57.6718 29.5530 175.7719 29 G 3.9429 8.2077 101.6687 46.0075 0.0000 172.6745 30 Q 4.8456 7.8983 120.6839 53.1382 32.2711 172.8416 31 P 5.0630 0.0000 0.0000 63.1130 32.6017 175.0735 32 M 4.8438 9.3831 121.8018 54.5886 36.4338 173.3162 33 T 4.7228 8.4386 121.2722 62.7844 70.5848 173.4387 34 F 4.9403 9.5475 125.4627 55.6573 41.6995 174.4714 35 R 4.9795 9.0501 124.3373 54.5639 31.8380 175.2937 36 L 4.3679 8.5526 127.2381 54.6216 42.1463 177.2225 37 L 3.9294 8.5018 124.7946 55.9187 42.7462 178.2769 38 L 3.8623 8.9888 120.7085 54.9829 39.2081 174.0007 39 V 4.9955 7.3054 110.6350 59.5989 35.3687 174.6992 40 D 4.9820 9.1974 124.1931 52.7753 42.9753 175.4844 41 I 4.8407 8.2520 124.2261 58.3581 39.7447 173.9997 42 P 4.3719 0.0000 0.0000 63.3032 31.7732 175.3793 43 E 4.7570 10.4840 121.1796 55.1620 31.6172 176.8402 44 T 4.0783 8.3859 110.3225 61.8316 69.8655 174.6677 45 K 4.2752 8.5209 122.6839 55.2231 33.3831 174.6251 46 H 5.2330 7.8524 135.0000 55.3569 33.3672 173.1015 47 P 3.7836 0.0000 0.0000 65.7726 31.1652 177.6468 48 K 4.0321 8.3786 117.8086 58.8236 31.7995 177.3605 49 K 4.5595 7.5187 112.0312 54.8810 35.3073 177.6651 50 G 3.7366 8.8318 111.4833 46.9629 0.0000 176.5302 51 V 4.3927 8.5051 128.9501 60.9709 31.0850 173.8186 52 E 4.2243 9.0245 127.7152 55.4782 30.9600 176.3950 53 K 4.0416 8.3250 123.4106 58.2358 32.5888 176.7495 54 Y 4.4121 8.1509 123.1401 59.4529 36.0574 171.1986 55 G 3.6724 8.2020 107.5168 47.4179 0.0000 174.0803 56 P 4.3073 0.0000 0.0000 64.9950 31.4384 178.6633 57 E 4.0005 8.1633 116.6441 59.4107 29.5542 179.0625 58 A 4.0356 8.4755 121.2538 55.2762 18.4923 179.6353 59 S 4.1642 8.5915 111.8954 61.4824 62.3600 176.2770 60 A 4.0691 8.2906 123.7199 54.7267 18.1045 179.2954 61 F 3.9188 8.5441 119.4696 61.8919 39.4851 177.3783 62 T 3.9352 8.1873 115.2541 66.5053 68.2146 176.4142 63 K 3.8864 8.0071 121.2454 59.5849 32.3952 178.9577 64 K 3.8853 8.2681 119.0358 59.6228 31.7061 179.0707 65 M 3.8879 7.5859 117.4095 58.6743 32.1202 178.3418 66 V 3.8356 7.9810 112.3867 63.9107 31.6162 178.3749 67 E 4.0543 8.2942 117.8589 58.4731 29.3725 177.8558 68 N 4.6995 7.6402 113.5497 52.0305 39.3363 175.1095 69 A 4.7052 6.8745 123.2842 51.1841 19.2495 178.4682 70 K 4.2010 9.1501 121.6711 58.9347 32.5655 177.8398 71 K 4.7634 7.8975 115.6229 55.4240 36.5400 175.1297 72 I 5.0237 8.3705 121.5871 59.7040 40.5246 174.3275 73 E 5.1659 9.3710 125.4991 54.6483 33.6207 175.1786 74 V 4.6645 8.7561 115.9272 59.5787 35.1915 174.8370 75 E 4.9749 8.7303 123.9377 54.5622 32.2522 174.8688 76 F 4.6653 8.8382 125.7338 57.5940 40.1631 175.6830 77 D 4.9591 8.4466 120.4125 53.4277 43.2119 175.8559 78 K 4.3532 9.1158 117.3146 57.5799 33.1691 178.2905 79 G 4.1951 8.1270 110.0029 44.3598 0.0000 173.4722 80 Q 3.9097 8.7039 123.0928 57.0695 29.4842 177.6978 81 R 4.5734 8.4933 122.1679 56.4011 31.0778 175.6221 82 T 5.0080 7.3876 111.6793 60.1173 70.7318 172.8914 83 D 5.5756 8.6244 126.1525 51.0325 41.7887 176.8585 84 K 3.9015 8.3493 116.8573 59.2820 32.6675 176.9027 85 Y 4.3381 8.1773 116.6109 57.7136 37.9844 176.4056 86 G 3.9171 8.3469 108.4384 45.3656 0.0000 173.7785 87 R 4.3921 7.9104 118.9508 54.8526 31.9169 176.3657 88 G 3.6412 8.4211 110.8367 46.2472 0.0000 172.5774 89 L 5.3361 8.7114 123.0720 53.2090 43.1092 175.6501 90 A 4.4634 8.3053 124.6177 50.8021 23.5859 174.1848 91 Y 4.7212 8.6523 117.8418 57.3871 39.5940 174.9158 92 I 4.8379 8.6271 125.0713 59.7431 39.8288 174.1766 93 Y 5.1073 9.2519 124.2477 56.0385 41.2508 174.4452 94 A 4.9161 8.9395 125.6220 50.4247 21.6079 176.2683 95 D 4.4283 10.0702 124.3623 55.5602 39.2391 176.0410 96 G 4.0135 8.6315 106.7723 45.0688 0.0000 173.9834 97 K 4.5538 8.1561 120.5277 54.6729 33.8247 175.4209 98 M 3.8679 8.5681 123.3642 55.1999 33.0854 177.0242 99 V 3.6483 8.8506 127.3107 66.0977 31.4679 177.6336 100 N 4.3261 8.0361 115.7908 56.4303 38.4594 176.8175 101 E 3.8951 8.0807 119.8567 59.1443 29.8204 178.4391 102 A 4.0969 8.1294 120.8886 55.1819 18.4380 179.5936 103 L 3.5161 8.0420 117.5110 57.8346 41.6594 179.9558 104 V 3.7838 7.4150 117.9603 65.8253 31.2581 178.0959 105 R 3.9379 8.3884 118.0804 59.0898 29.9693 177.5532 106 Q 4.3383 7.7417 115.2944 55.0020 29.0137 175.9994 107 G 3.9180 7.9280 108.5616 46.8058 0.0000 174.8411 108 L 4.5626 7.6329 116.6301 53.8834 42.2281 176.2120 109 A 4.6559 7.4775 118.6511 51.0006 22.0343 176.1463 110 K 4.8535 8.5895 119.2247 54.4065 35.4412 176.0616 111 V 4.2564 9.3989 123.5523 62.6883 31.8122 175.9453 112 A 4.5136 8.7277 130.6097 51.6774 19.4429 176.2705 113 Y 3.9111 8.5368 120.4146 57.6704 39.3421 175.2512 114 V 3.9747 7.1786 126.4217 61.4962 33.1377 174.7972 115 Y 4.5967 8.1073 124.0561 55.7826 38.5902 175.4365 116 K 4.4377 8.4679 124.5234 56.0558 32.7474 175.1320 117 P 4.7810 0.0000 0.0000 63.2479 31.9154 177.0557 118 N 4.9076 8.3687 118.6332 52.4664 36.9881 175.2103 119 N 5.1079 7.7591 112.0375 53.2913 39.4680 177.2273 120 T 3.8278 8.2712 117.5301 67.4969 68.7229 174.8333 121 H 4.8403 7.8321 116.4458 55.7605 29.1646 176.6781 122 E 3.9680 8.3832 123.3595 59.7010 29.3432 178.9838 123 Q 3.9740 8.0176 117.5134 59.0113 28.8273 177.8710 124 H 4.1380 8.2042 118.7479 59.4229 29.9291 176.9629 125 L 3.9083 7.9150 120.5755 58.0949 41.5035 179.9510 126 R 4.0182 8.1583 117.6962 58.7617 29.9332 179.3884 127 K 3.9304 8.1475 118.7295 59.6263 32.0949 179.5344 128 S 4.0957 7.9467 115.4328 61.4323 62.6612 176.4012 129 E 3.9267 8.5282 122.3404 59.1566 29.3920 178.7148 130 A 3.7343 7.9145 120.8625 54.9830 18.3605 179.3738 131 Q 3.7813 7.9429 117.7064 59.3240 29.1911 178.3789 132 A 4.0154 8.0015 121.7774 54.9510 18.3254 179.5805 133 K 3.2614 7.6668 118.0955 59.2784 31.9219 179.0801 134 K 3.8124 7.9682 117.9608 59.5153 32.1175 178.3792 135 E 4.1673 8.3938 115.7333 55.6092 30.1756 176.4752 136 K 4.0548 8.0054 118.9721 57.2499 30.5602 174.8079 137 L 4.6437 8.2160 118.2148 54.8700 44.9735 177.9578 138 N 3.8750 9.4135 120.2924 54.1339 37.7144 176.5245 139 I 3.0522 5.4200 126.8523 64.2946 37.6385 176.7652 140 W 4.7622 7.7951 118.0227 56.4469 29.3548 176.4612 141 S 4.7472 8.3162 119.0469 57.9628 62.5744 173.9646 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 7 L 8.17 4.43 0.00 1.72 1.76 1.05 0.83 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 8 H 8.02 4.94 0.00 3.22 3.23 0.00 5.52 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.44 4.63 0.00 1.60 1.71 0.00 1.44 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.10 1.26 7.81 10 E 9.22 4.93 0.00 2.13 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 2.42 2.47 0.00 11 P 0.00 5.04 0.00 1.97 2.00 0.00 3.74 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 2.04 2.11 0.00 12 A 8.40 4.94 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 13 T 8.56 4.63 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 1.23 0.00 0.00 14 L 8.73 4.23 0.00 1.63 1.58 0.92 1.03 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 15 I 8.72 4.37 2.02 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 1.15 0.86 0.94 0.00 0.00 16 K 7.62 4.56 0.00 1.81 1.61 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.45 7.81 17 A 8.70 4.56 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 18 I 8.42 4.15 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 1.20 0.92 0.91 0.00 0.00 19 D 7.59 4.62 0.00 2.70 2.49 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 0.00 20 G 8.88 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 0.00 0.00 0.00 21 D 8.12 4.96 0.00 2.85 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 22 T 7.84 5.22 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 23 V 8.71 4.90 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 0.71 0.00 0.00 0.95 0.00 0.00 24 K 9.22 4.93 0.00 1.84 1.82 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.68 7.81 25 L 9.36 5.32 0.00 1.77 1.55 0.36 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.15 4.95 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 27 Y 9.46 4.98 0.00 3.31 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 28 K 9.12 3.75 0.00 1.44 1.62 0.00 1.46 0.00 0.00 1.36 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.09 0.65 7.81 29 G 8.21 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 30 Q 7.90 4.85 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 31 P 0.00 5.06 0.00 2.16 2.08 0.00 3.86 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 32 M 9.38 4.84 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.09 0.00 33 T 8.44 4.72 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 1.22 0.00 0.00 34 F 9.55 4.94 0.00 3.06 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 35 R 9.05 4.98 0.00 1.90 1.81 0.00 3.35 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 1.59 1.66 0.00 36 L 8.55 4.37 0.00 1.59 1.61 0.99 0.86 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 37 L 8.50 3.93 0.00 0.93 1.31 0.41 0.33 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 38 L 8.99 3.86 0.00 2.04 1.93 1.15 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.31 5.00 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 0.83 0.00 0.00 0.95 0.00 0.00 40 D 9.20 4.98 0.00 2.56 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 41 I 8.25 4.84 1.88 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 1.39 0.59 0.92 0.00 0.00 42 P 0.00 4.37 0.00 2.33 2.27 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.03 0.00 43 E 10.48 4.76 0.00 2.16 1.88 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 0.00 2.25 2.38 0.00 44 T 8.39 4.08 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 1.23 0.00 0.00 45 K 8.52 4.28 0.00 1.68 1.69 0.00 1.90 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.26 1.35 7.81 46 H 7.85 5.23 0.00 3.30 3.18 0.00 5.66 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 47 P 0.00 3.78 0.00 2.23 2.21 0.00 3.90 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 2.07 2.03 0.00 48 K 8.38 4.03 0.00 1.63 1.87 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 0.93 7.81 49 K 7.52 4.56 0.00 1.78 1.82 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.33 7.81 50 G 8.83 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 51 V 8.51 4.39 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 0.80 0.00 0.00 0.97 0.00 0.00 52 E 9.02 4.22 0.00 1.96 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 53 K 8.32 4.04 0.00 1.66 1.67 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.08 1.09 7.81 54 Y 8.15 4.41 0.00 3.21 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.20 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 56 P 0.00 4.31 0.00 2.16 2.12 0.00 3.57 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 57 E 8.16 4.00 0.00 2.37 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 58 A 8.48 4.04 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.59 4.16 0.00 4.03 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 60 A 8.29 4.07 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 61 F 8.54 3.92 0.00 3.30 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 62 T 8.19 3.94 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 1.24 0.00 0.00 63 K 8.01 3.89 0.00 2.01 2.00 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.59 7.81 64 K 8.27 3.89 0.00 1.60 1.73 0.00 1.71 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.72 1.54 7.81 65 M 7.59 3.89 0.00 2.02 1.77 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 66 V 7.98 3.84 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 0.78 0.00 0.00 1.02 0.00 0.00 67 E 8.29 4.05 0.00 1.93 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 2.33 2.55 0.00 68 N 7.64 4.70 0.00 2.79 2.80 0.00 0.00 6.98 6.73 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 69 A 6.87 4.71 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 9.15 4.20 0.00 1.80 1.88 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.48 7.81 71 K 7.90 4.76 0.00 1.78 1.85 0.00 1.44 0.00 0.00 1.82 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.48 7.81 72 I 8.37 5.02 2.01 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 1.33 1.15 0.85 0.00 0.00 73 E 9.37 5.17 0.00 1.88 1.79 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 2.21 2.25 0.00 74 V 8.76 4.66 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 -0.01 0.00 0.00 0.73 0.00 0.00 75 E 8.73 4.97 0.00 2.26 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 0.00 2.47 2.56 0.00 76 F 8.84 4.67 0.00 3.00 2.93 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 77 D 8.45 4.96 0.00 2.68 2.96 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 78 K 9.12 4.35 0.00 1.79 1.88 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.44 7.81 79 G 8.13 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 80 Q 8.70 3.91 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.73 0.00 0.00 0.00 0.00 0.00 2.61 2.36 0.00 81 R 8.49 4.57 0.00 1.64 1.35 0.00 2.82 0.00 0.00 2.41 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.63 0.00 82 T 7.39 5.01 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 83 D 8.62 5.58 0.00 2.94 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 84 K 8.35 3.90 0.00 1.63 1.76 0.00 1.27 0.00 0.00 1.49 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.70 0.55 7.81 85 Y 8.18 4.34 0.00 3.12 2.98 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 86 G 8.35 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 87 R 7.91 4.39 0.00 2.03 1.88 0.00 3.12 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 88 G 8.42 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.71 5.34 0.00 1.59 1.63 0.92 0.58 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 90 A 8.31 4.46 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 91 Y 8.65 4.72 0.00 2.96 2.65 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 92 I 8.63 4.84 1.77 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.76 0.81 0.00 0.00 93 Y 9.25 5.11 0.00 2.76 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 94 A 8.94 4.92 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 0.00 0.00 0.00 0.00 0.00 0.00 95 D 10.07 4.43 0.00 2.86 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 96 G 8.63 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 97 K 8.16 4.55 0.00 1.82 1.78 0.00 1.76 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.39 7.81 98 M 8.57 3.87 0.00 1.92 1.64 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.45 0.00 99 V 8.85 3.65 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.95 0.00 0.00 100 N 8.04 4.33 0.00 2.89 2.92 0.00 0.00 6.77 7.66 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 0.00 101 E 8.08 3.90 0.00 1.95 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 2.25 2.15 0.00 102 A 8.13 4.10 1.60 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 0.00 103 L 8.04 3.52 0.00 1.84 1.63 0.99 0.58 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 0.00 104 V 7.41 3.78 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 1.09 0.00 0.00 0.98 0.00 0.00 105 R 8.39 3.94 0.00 1.99 2.06 0.00 3.33 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 106 Q 7.74 4.34 0.00 1.64 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.40 0.00 0.00 0.00 0.00 0.00 2.38 2.07 0.00 107 G 7.93 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 0.00 108 L 7.63 4.56 0.00 1.33 1.51 0.50 0.46 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 0.00 109 A 7.48 4.66 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.59 4.85 0.00 1.71 1.78 0.00 1.29 0.00 0.00 1.43 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.73 1.37 7.81 111 V 9.40 4.26 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 0.77 0.00 0.00 1.00 0.00 0.00 112 A 8.73 4.51 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 8.54 3.91 0.00 2.85 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 0.00 114 V 7.18 3.97 1.79 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 0.81 0.00 0.00 0.98 0.00 0.00 115 Y 8.11 4.60 0.00 3.16 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 0.00 116 K 8.47 4.44 0.00 1.78 1.77 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.39 7.81 117 P 0.00 4.78 0.00 2.21 2.15 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 118 N 8.37 4.91 0.00 2.92 2.88 0.00 0.00 6.62 7.88 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 0.00 119 N 7.76 5.11 0.00 2.82 2.96 0.00 0.00 6.09 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 0.00 120 T 8.27 3.83 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 1.06 0.00 0.00 121 H 7.83 4.84 0.00 2.89 3.12 0.00 5.63 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.38 3.97 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 123 Q 8.02 3.97 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 124 H 8.20 4.14 0.00 3.21 3.46 0.00 5.88 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 0.00 125 L 7.92 3.91 0.00 1.92 1.72 1.02 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.16 4.02 0.00 2.02 1.95 0.00 3.10 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 127 K 8.15 3.93 0.00 1.97 1.82 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.65 7.81 128 S 7.95 4.10 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 0.00 129 E 8.53 3.93 0.00 2.13 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 2.24 2.56 0.00 130 A 7.91 3.73 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 0.00 131 Q 7.94 3.78 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 132 A 8.00 4.02 1.54 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 0.00 133 K 7.67 3.26 0.00 0.79 1.40 0.00 1.28 0.00 0.00 1.05 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.05 0.78 7.81 134 K 7.97 3.81 0.00 1.89 1.80 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.40 7.81 135 E 8.39 4.17 0.00 1.97 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 2.32 2.42 0.00 136 K 8.01 4.05 0.00 1.96 1.88 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.58 1.40 7.81 137 L 8.22 4.64 0.00 1.80 1.71 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.41 3.87 0.00 2.75 1.65 0.00 0.00 7.14 7.32 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 0.00 139 I 5.42 3.05 1.38 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 0.90 -0.06 -0.66 0.00 0.00 140 W 7.80 4.76 0.00 3.36 3.15 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 0.00 141 S 8.32 4.75 0.00 3.98 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