NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.5493 8.3229 120.1853 53.7104 42.2680 176.7111 5 K 3.8647 8.6279 132.3577 59.4204 31.5996 174.0949 6 K 4.1772 8.2659 119.0674 59.0479 32.4109 179.1701 7 V 3.6956 8.0616 118.7068 66.2084 31.4918 178.2331 8 I 3.7799 7.7007 119.4993 64.3906 36.8901 178.4635 9 Q 3.9978 8.4503 119.3794 59.2117 28.4655 178.5891 10 H 4.1613 8.4617 117.5229 58.8125 28.7880 177.7137 11 L 4.0099 8.3346 121.1996 58.1476 41.4152 179.5072 12 N 4.5737 8.3623 116.1908 55.7779 38.3955 177.5681 13 K 3.9071 8.0070 121.3193 59.5745 32.3827 178.7800 14 I 3.6779 7.8770 120.1824 64.3471 36.9873 177.9601 15 L 4.0227 8.5415 121.4647 58.1818 41.7561 178.9509 16 G 3.8363 8.3493 105.9365 48.2926 0.0000 175.2655 17 N 4.3546 8.0380 118.9024 55.9099 38.5365 177.3721 18 E 3.9475 8.2216 119.9925 59.4749 29.4331 179.3906 19 L 3.9956 8.0797 119.0021 57.7303 41.5379 179.8158 20 I 3.6048 7.5412 119.3598 64.2475 37.1408 178.2135 21 A 3.2766 7.8438 121.5506 54.9328 18.1068 179.4202 22 I 3.6034 8.0834 118.5380 64.9368 37.1723 178.4385 23 N 4.3866 7.8417 116.8183 56.1715 38.2916 177.4202 24 Q 3.8431 8.2619 121.3770 59.3969 29.1308 177.8933 25 Y 4.7723 8.1851 119.4880 60.7002 37.9411 178.3429 26 F 3.8952 8.4180 121.6809 61.0706 39.4071 177.0100 27 L 3.9981 8.3535 120.1910 58.4716 41.9518 178.4379 28 H 3.7401 8.3130 116.4007 58.8102 28.5297 177.5722 29 S 4.3094 8.2386 114.7475 61.7744 62.2215 176.6247 30 R 3.8432 7.9058 120.4713 59.0928 29.7090 179.0400 31 M 3.4400 7.9561 118.9853 58.0153 31.8711 178.7715 32 W 4.5247 8.1892 119.3299 59.8032 29.1714 178.4269 33 N 4.3776 8.4634 116.6106 56.3735 37.8086 176.6626 34 D 4.3591 8.0368 118.4763 57.4000 41.3389 178.0667 35 W 4.8068 7.9863 116.3513 57.3873 29.2989 177.2248 36 G 3.9900 8.3410 108.0940 45.8034 0.0000 174.1873 37 L 4.8384 7.9420 121.7488 53.2400 40.3334 177.5996 38 K 4.0927 8.3547 121.4221 59.0981 32.4049 179.1488 39 R 3.8867 7.9874 119.3918 59.3001 29.9328 178.5294 40 L 3.8693 7.7647 118.5509 57.3921 41.6363 179.4191 41 G 3.7955 8.1509 105.5765 47.8990 0.0000 175.6356 42 A 3.9965 8.2060 123.6502 54.9867 18.4531 179.1247 43 H 3.9220 8.2149 116.8463 59.5042 29.6788 177.1552 44 E 3.9951 8.6927 121.3819 59.0932 29.4634 178.1528 45 Y 3.9390 7.8964 119.5040 60.9959 38.8533 177.6998 46 H 4.0810 8.1169 117.0771 58.8175 28.7276 177.6771 47 E 3.8644 8.1245 120.5052 59.2804 29.2157 179.2868 48 S 4.3005 8.1653 113.2954 61.5362 62.4985 176.3296 49 I 3.6592 7.6091 122.5263 64.3483 36.7508 178.1692 50 D 4.2678 8.0646 119.8440 57.3976 40.5508 178.7011 51 E 4.1965 8.2590 119.0830 59.5825 29.4305 179.2881 52 M 4.0379 8.0415 118.8875 58.2329 31.9761 178.9721 53 K 3.9643 8.0512 118.5916 59.7737 32.2685 179.0440 54 H 4.2180 8.0525 116.2583 58.8540 28.6226 177.5497 55 A 3.9982 8.2688 122.6673 55.1815 18.1951 178.8700 56 D 4.2680 8.1088 116.3800 57.8413 41.3125 178.9612 57 K 4.0228 8.0591 118.5827 59.2787 31.9791 179.5227 58 L 4.0255 8.0577 119.4468 57.7426 41.5919 179.2716 59 I 3.7221 8.1863 120.1806 64.7203 37.1180 178.3595 60 E 4.0283 8.3470 119.1812 59.2637 29.2396 179.5073 61 R 4.0003 8.1863 118.8553 59.3822 30.1336 178.4593 62 I 3.7307 7.8776 119.6275 64.6080 37.1535 178.4016 63 L 3.9913 8.0897 119.6279 57.7724 41.1966 179.3832 64 F 4.3007 8.0885 119.7137 61.0261 39.3819 176.2426 65 L 3.9931 7.7899 115.7138 54.0199 41.4307 176.5770 66 E 3.7357 7.7381 117.1690 57.3634 27.2461 174.8483 67 G 3.9244 7.9553 109.0240 44.2786 0.0000 173.4134 68 L 4.6079 8.0247 118.9113 51.9752 42.9866 175.1013 69 P 4.3651 0.0000 0.0000 62.3990 31.8047 175.7131 70 N 4.6780 9.6629 122.7747 52.5253 38.6333 174.1311 71 L 4.6358 8.3643 124.3108 54.5695 42.5705 177.2490 72 Q 4.1049 8.3638 121.6468 57.6971 29.4504 175.5470 73 D 4.5744 8.1126 117.9377 52.8144 41.2495 175.4439 74 L 4.5350 8.3303 126.7820 52.8901 43.5546 176.3930 75 G 3.8589 8.2748 117.6728 44.7348 0.0000 170.9617 76 K 4.1816 8.3826 121.1189 55.5301 32.8373 177.4481 77 L 4.1805 8.3889 126.5977 54.5743 42.2651 177.2443 78 L 4.4786 8.5424 124.2323 53.2076 40.7991 174.4317 79 I 4.1974 7.9761 122.7659 59.8365 38.0293 176.4924 80 G 4.0511 8.7022 114.8983 44.5162 0.0000 172.6398 81 E 4.6448 8.4748 116.1423 56.2926 30.9034 175.8296 82 N 5.0602 7.7327 116.5650 50.5884 41.7611 174.9913 83 T 4.4594 8.6728 117.1419 67.3285 68.5748 176.5012 84 Q 4.0091 8.1903 120.6267 59.3195 29.2156 177.8966 85 E 4.0673 8.9014 119.8661 59.4175 29.3566 179.2393 86 M 3.9322 8.4166 119.1662 58.3507 31.9220 178.6703 87 L 4.1598 8.1859 119.0692 58.0596 41.7502 179.4846 88 Q 3.9835 8.2905 119.3918 59.3488 28.9880 177.9950 89 C 4.2159 8.7556 118.2814 62.8680 28.1679 175.8216 90 D 4.6764 8.5924 120.7714 57.3064 40.4291 178.5867 91 L 3.9871 8.2379 121.0870 58.2014 42.2349 178.6114 92 N 4.3253 8.4682 116.7393 56.2953 38.5208 176.8905 93 L 3.9792 8.0253 121.5156 58.5051 42.1284 178.9801 94 E 4.1574 8.4033 118.2692 59.3935 29.4843 179.3921 95 L 4.0111 8.1916 119.1923 57.4849 41.6670 179.4155 96 K 3.9138 8.0627 119.1498 59.5133 32.2034 178.5602 97 A 4.0284 8.4611 121.4040 55.7560 18.2799 179.7938 98 T 3.9547 8.1891 114.1618 66.3477 68.6525 177.1972 99 K 3.9790 8.0200 121.4004 59.5774 32.1565 178.6563 100 D 4.4256 8.2062 119.2457 57.2823 40.6677 178.8149 101 L 3.9910 7.9599 119.5187 57.8247 41.6611 179.6865 102 R 3.9345 7.9493 117.9588 59.4558 30.1522 179.0657 103 E 3.9985 8.1710 117.6544 59.2559 29.4314 179.2605 104 A 3.6797 8.3205 121.1837 54.9674 18.2942 179.8103 105 I 3.7132 7.8537 118.6110 64.2474 37.2302 178.5265 106 V 3.5652 7.8383 119.2068 66.4092 31.2936 177.6222 107 H 4.1259 8.0497 117.3695 59.4041 29.6247 176.8252 108 C 3.9191 8.1017 118.5784 62.8054 27.9574 175.8301 109 E 3.8772 8.3366 120.8372 59.4399 29.0808 178.6707 110 Q 4.0334 7.9466 118.1253 58.5263 29.0525 177.6202 111 V 3.9777 7.1959 110.9590 60.3460 31.9658 175.3595 112 H 2.8214 7.4702 113.9999 56.9243 26.9469 176.2258 113 D 4.5380 7.4412 119.8786 53.4573 38.4491 175.2057 114 Y 4.3359 7.4901 121.4359 60.2817 38.4980 177.4997 115 V 3.7117 7.8343 119.1977 65.9604 31.7054 178.1306 116 S 4.1632 8.5365 115.0741 61.3840 62.5913 176.4417 117 R 3.8829 7.8689 121.0052 59.5349 29.7541 178.0303 118 D 4.2988 8.1784 117.6693 57.1782 41.2660 177.6387 119 L 3.9371 7.8067 120.7004 58.5520 41.9738 179.1618 120 L 4.0411 8.1294 118.6596 57.5072 41.3999 179.4730 121 K 3.9572 8.3619 119.9596 59.4636 32.0111 178.5314 122 D 4.3707 8.3338 119.3798 57.5857 40.7357 178.9572 123 I 3.5413 7.8190 120.1558 64.2069 36.9826 178.2924 124 L 3.9565 8.2818 121.6154 57.9849 41.9158 178.5697 125 E 3.9294 8.4968 119.6969 59.4386 29.5883 178.8456 126 S 4.4756 7.8420 114.5756 60.7040 62.3687 175.9976 127 E 4.1142 8.4762 121.7058 59.3518 29.1964 178.9592 128 E 4.0614 8.6216 119.0658 59.4976 29.5724 179.3241 129 E 4.0301 8.3744 118.7001 59.6443 29.4853 178.8799 130 H 4.4771 8.3539 118.3977 59.2608 29.8994 177.1704 131 I 3.6996 8.2755 122.2033 64.4747 36.9303 177.7840 132 D 4.3054 8.2706 118.6633 57.5012 41.0425 177.4568 133 Y 4.1093 8.0751 119.9765 60.8208 38.7835 178.2652 134 L 3.7911 8.2164 119.6075 57.9168 41.7538 179.2821 135 E 3.9234 8.2682 118.4962 59.6588 29.3459 179.5406 136 T 3.7757 7.9104 115.5937 66.7762 68.5478 176.4680 137 Q 3.7948 7.8327 119.9155 58.8551 28.5589 178.9820 138 L 3.8464 7.7798 119.8747 57.7549 41.6906 179.6087 139 G 3.7339 8.0333 105.5486 48.1264 0.0000 175.6091 140 L 4.0361 8.2595 121.7152 57.3739 41.6223 179.4600 141 I 3.5606 7.4582 119.8480 64.6670 36.7753 178.4731 142 Q 4.0251 7.5298 117.6717 58.5242 28.5744 178.4467 143 K 4.1564 7.8324 119.0033 58.6425 32.4118 178.8472 144 V 4.2139 8.4269 109.9102 59.9372 33.0921 177.0651 145 G 4.0267 7.8018 105.9519 45.6374 0.0000 174.3794 146 L 3.9654 8.5754 122.8476 58.1235 42.0875 179.3122 147 E 3.9889 8.1847 117.9316 59.6464 29.3974 179.0646 148 N 4.3354 8.1071 115.9593 56.2084 38.4761 176.6772 149 Y 3.9660 7.9769 120.1849 60.6623 39.2310 177.7285 150 L 4.0719 8.3488 120.2077 58.0219 41.6678 179.0959 151 Q 3.9390 8.1729 119.3624 59.5700 28.7057 178.4358 152 S 4.3701 7.9230 112.6105 59.7998 63.0621 174.2717 153 H 4.6727 8.0376 118.8025 55.6128 29.8639 175.6608 154 M 4.2317 7.9345 121.4017 57.8039 31.9355 176.0689 155 H 5.0904 7.5803 113.8675 53.7909 30.7774 174.8259 156 E 4.1378 8.6967 121.4230 56.8014 29.2723 176.8823 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 4 D 8.32 4.55 0.00 2.74 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.63 3.86 0.00 1.88 1.81 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.16 7.81 6 K 8.27 4.18 0.00 2.13 1.68 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.53 1.06 7.81 7 V 8.06 3.70 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.97 0.00 0.00 8 I 7.70 3.78 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.66 0.91 0.00 0.00 9 Q 8.45 4.00 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 10 H 8.46 4.16 0.00 3.41 3.34 0.00 5.63 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 11 L 8.33 4.01 0.00 1.81 1.75 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.36 4.57 0.00 2.89 2.85 0.00 0.00 6.69 7.17 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 13 K 8.01 3.91 0.00 1.94 1.91 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 7.88 3.68 2.01 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 1.73 0.86 0.92 0.00 0.00 15 L 8.54 4.02 0.00 1.76 1.83 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.35 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 17 N 8.04 4.35 0.00 2.91 2.87 0.00 0.00 7.09 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.22 3.95 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 2.56 2.53 0.00 19 L 8.08 4.00 0.00 1.80 1.68 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.54 3.60 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.76 0.89 0.00 0.00 21 A 7.84 3.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.08 3.60 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.61 0.88 0.00 0.00 23 N 7.84 4.39 0.00 2.71 2.83 0.00 0.00 6.73 9.10 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 24 Q 8.26 3.84 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 25 Y 8.19 4.77 0.00 3.05 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 26 F 8.42 3.90 0.00 3.33 3.08 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 0.00 0.00 0.00 27 L 8.35 4.00 0.00 1.82 1.68 0.88 1.08 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 28 H 8.31 3.74 0.00 3.42 2.73 0.00 5.70 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 29 S 8.24 4.31 0.00 3.98 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 30 R 7.91 3.84 0.00 1.90 1.90 0.00 2.99 0.00 0.00 2.67 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 31 M 7.96 3.44 0.00 0.81 1.58 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.09 0.00 32 W 8.19 4.52 0.00 3.67 3.33 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 33 N 8.46 4.38 0.00 2.86 2.85 0.00 0.00 6.61 7.78 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 34 D 8.04 4.36 0.00 2.54 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 7.99 4.81 0.00 3.73 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.34 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 0.00 0.00 0.00 37 L 7.94 4.84 0.00 2.01 1.63 1.25 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.35 4.09 0.00 1.98 1.87 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.48 7.81 39 R 7.99 3.89 0.00 2.03 1.94 0.00 3.13 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 1.61 1.64 0.00 40 L 7.76 3.87 0.00 1.23 0.25 0.21 0.31 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 41 G 8.15 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.21 4.00 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 43 H 8.21 3.92 0.00 3.35 3.41 0.00 5.79 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 44 E 8.69 4.00 0.00 2.53 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 2.75 2.66 0.00 45 Y 7.90 3.94 0.00 3.00 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 46 H 8.12 4.08 0.00 3.24 3.24 0.00 5.69 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 47 E 8.12 3.86 0.00 1.88 1.68 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 2.18 2.05 0.00 48 S 8.17 4.30 0.00 4.08 4.06 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 49 I 7.61 3.66 1.82 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.41 0.84 0.00 0.00 50 D 8.06 4.27 0.00 2.82 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.26 4.20 0.00 2.17 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 2.77 2.63 0.00 52 M 8.04 4.04 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.56 0.00 53 K 8.05 3.96 0.00 1.85 1.81 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.61 7.81 54 H 8.05 4.22 0.00 3.37 3.32 0.00 5.65 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 55 A 8.27 4.00 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 56 D 8.11 4.27 0.00 2.91 2.88 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 0.00 0.00 0.00 57 K 8.06 4.02 0.00 1.89 1.86 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.69 7.81 58 L 8.06 4.03 0.00 1.90 1.73 1.00 0.67 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 59 I 8.19 3.72 2.02 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 1.53 0.91 0.92 0.00 0.00 60 E 8.35 4.03 0.00 2.15 2.01 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 2.34 2.60 0.00 61 R 8.19 4.00 0.00 2.09 2.11 0.00 3.33 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 62 I 7.88 3.73 2.05 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 1.54 0.58 0.94 0.00 0.00 63 L 8.09 3.99 0.00 2.05 1.78 0.93 0.92 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 64 F 8.09 4.30 0.00 3.01 3.31 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 65 L 7.79 3.99 0.00 1.64 1.60 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.74 3.74 0.00 2.04 2.01 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 2.17 2.10 0.00 67 G 7.96 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.02 4.61 0.00 1.60 1.59 0.91 0.98 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 69 P 0.00 4.37 0.00 2.04 1.99 0.00 3.66 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 70 N 9.66 4.68 0.00 2.62 2.83 0.00 0.00 7.07 8.28 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 71 L 8.36 4.64 0.00 1.61 1.62 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.36 4.10 0.00 1.99 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 73 D 8.11 4.57 0.00 2.69 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 74 L 8.33 4.54 0.00 1.51 1.52 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.27 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 0.00 0.00 0.00 76 K 8.38 4.18 0.00 1.98 1.72 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.41 1.02 7.81 77 L 8.39 4.18 0.00 1.63 1.55 0.87 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.54 4.48 0.00 1.75 1.66 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.98 4.20 1.88 0.00 0.00 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 1.33 0.75 0.91 0.00 0.00 80 G 8.70 4.05 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 0.00 0.00 0.00 81 E 8.47 4.64 0.00 2.10 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 2.44 2.31 0.00 82 N 7.73 5.06 0.00 2.90 2.86 0.00 0.00 6.25 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 83 T 8.67 4.46 4.46 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 1.50 0.00 0.00 84 Q 8.19 4.01 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 85 E 8.90 4.07 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 2.64 0.00 86 M 8.42 3.93 0.00 1.43 2.28 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.03 0.00 87 L 8.19 4.16 0.00 1.90 1.75 0.87 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.29 3.98 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.76 4.22 0.00 3.28 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 90 D 8.59 4.68 0.00 3.11 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 91 L 8.24 3.99 0.00 1.86 1.88 0.94 0.97 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 92 N 8.47 4.33 0.00 2.95 2.89 0.00 0.00 6.69 7.43 0.00 0.00 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 L 8.03 3.98 0.00 1.98 1.94 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.40 4.16 0.00 2.21 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 0.00 2.68 2.50 0.00 95 L 8.19 4.01 0.00 1.85 1.74 0.94 0.43 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 96 K 8.06 3.91 0.00 1.92 2.03 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.51 7.81 97 A 8.46 4.03 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 98 T 8.19 3.95 4.60 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 1.30 0.00 0.00 99 K 8.02 3.98 0.00 1.88 1.98 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.56 7.81 100 D 8.21 4.43 0.00 2.92 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.96 3.99 0.00 1.87 1.72 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.95 3.93 0.00 2.03 1.99 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 103 E 8.17 4.00 0.00 2.08 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 2.34 2.56 0.00 104 A 8.32 3.68 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 0.00 105 I 7.85 3.71 1.99 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 1.42 0.70 0.93 0.00 0.00 106 V 7.84 3.57 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 1.01 0.00 0.00 0.97 0.00 0.00 107 H 8.05 4.13 0.00 3.26 3.30 0.00 5.85 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 0.00 108 C 8.10 3.92 0.00 3.11 3.17 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 0.00 109 E 8.34 3.88 0.00 2.19 2.14 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 2.37 2.45 0.00 110 Q 7.95 4.03 0.00 2.09 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.99 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 111 V 7.20 3.98 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 0.66 0.00 0.00 0.83 0.00 0.00 112 H 7.47 2.82 0.00 3.12 3.11 0.00 5.66 0.00 0.00 0.00 0.00 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.44 4.54 0.00 2.58 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 0.00 0.00 0.00 0.00 114 Y 7.49 4.34 0.00 3.06 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 0.00 115 V 7.83 3.71 2.15 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 1.09 0.00 0.00 1.00 0.00 0.00 116 S 8.54 4.16 0.00 4.12 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 0.00 117 R 7.87 3.88 0.00 1.94 2.22 0.00 3.22 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 118 D 8.18 4.30 0.00 3.03 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 0.00 119 L 7.81 3.94 0.00 1.95 1.93 0.94 0.68 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 0.00 120 L 8.13 4.04 0.00 1.88 1.71 0.93 0.70 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 0.00 121 K 8.36 3.96 0.00 1.89 1.99 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.64 7.81 122 D 8.33 4.37 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 0.00 123 I 7.82 3.54 1.96 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 1.22 0.69 0.75 0.00 0.00 124 L 8.28 3.96 0.00 1.85 1.92 0.98 0.92 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 0.00 125 E 8.50 3.93 0.00 2.08 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 2.33 2.34 0.00 126 S 7.84 4.48 0.00 3.95 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 0.00 127 E 8.48 4.11 0.00 2.06 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 2.64 2.52 0.00 128 E 8.62 4.06 0.00 2.14 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 2.36 2.56 0.00 129 E 8.37 4.03 0.00 2.25 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 0.00 2.37 2.52 0.00 130 H 8.35 4.48 0.00 3.25 3.52 0.00 5.62 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 0.00 131 I 8.28 3.70 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.59 0.93 0.00 0.00 132 D 8.27 4.31 0.00 2.97 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 0.00 133 Y 8.08 4.11 0.00 3.19 3.23 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 0.00 134 L 8.22 3.79 0.00 2.07 1.68 1.12 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.27 3.92 0.00 2.07 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 2.31 2.47 0.00 136 T 7.91 3.78 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 1.16 0.00 0.00 137 Q 7.83 3.79 0.00 1.83 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.79 0.00 0.00 0.00 0.00 0.00 1.45 1.79 0.00 138 L 7.78 3.85 0.00 1.79 1.62 0.82 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.03 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.26 4.04 0.00 1.80 1.87 1.01 0.94 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 0.00 141 I 7.46 3.56 1.80 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 -0.04 0.79 0.00 0.00 142 Q 7.53 4.03 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.99 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 143 K 7.83 4.16 0.00 1.74 1.86 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.66 7.81 144 V 8.43 4.21 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 0.78 0.00 0.00 1.07 0.00 0.00 145 G 7.80 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 0.00 146 L 8.58 3.97 0.00 1.76 1.68 0.96 0.94 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 0.00 147 E 8.18 3.99 0.00 2.05 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 2.40 2.41 0.00 148 N 8.11 4.34 0.00 2.94 2.88 0.00 0.00 6.74 7.48 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 0.00 149 Y 7.98 3.97 0.00 2.98 3.11 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 0.00 150 L 8.35 4.07 0.00 1.72 1.73 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.17 3.94 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.90 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 152 S 7.92 4.37 0.00 3.79 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 0.00 153 H 8.04 4.67 0.00 2.99 3.03 0.00 5.81 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 0.00 154 M 7.93 4.23 0.00 1.86 1.96 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 2.44 0.00 155 H 7.58 5.09 0.00 3.09 3.16 0.00 5.72 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 0.00 156 E 8.70 4.14 0.00 1.95 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 0.00 2.31 2.40 0.00