NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4521 8.3049 120.3284 54.8036 33.4845 174.4908 2 E 3.9111 8.3075 119.1160 55.3286 30.0490 175.6389 3 A 4.0481 9.2765 126.4921 52.6844 19.7863 177.7760 4 L 4.0061 8.4851 122.4223 55.9266 41.9815 177.7306 5 G 3.7496 9.1220 105.0846 45.8527 0.0000 172.7235 6 A 4.5024 7.4503 116.0997 51.0027 21.9077 176.5013 7 D 4.7262 8.6509 121.9714 53.4648 42.5117 175.8014 8 V 4.6310 8.4126 122.5491 61.3871 34.3795 174.9842 9 T 4.4733 7.8027 122.4921 61.6794 69.2843 174.3987 10 Q 3.9306 8.8190 125.6568 56.7761 29.0120 177.4209 11 G 4.1157 8.9947 109.0578 45.8975 0.0000 172.4817 12 L 5.0793 8.1278 120.1217 52.8672 46.0369 175.0390 13 E 5.2107 8.9458 119.2983 54.0182 34.6530 175.1720 14 K 4.0861 8.3556 122.6839 58.1436 32.3830 176.9360 15 G 4.0392 9.0188 115.6591 45.1464 0.0000 174.0062 16 S 4.3271 8.0824 116.2091 58.6697 64.1694 173.1531 17 L 5.1712 8.3971 122.9542 53.1984 43.2139 175.8263 18 I 4.7618 8.8882 116.8126 59.0452 41.7669 174.6924 19 T 4.4087 8.4955 119.7958 63.7723 69.7041 173.8735 20 C 4.7443 8.7051 126.8557 57.2996 31.7795 174.1653 21 A 4.5352 8.3246 135.0000 50.3996 16.3880 174.6869 22 D 5.2756 7.6858 119.2928 53.4951 42.4374 175.2103 23 N 5.0286 8.3537 115.2324 52.8826 37.6027 175.8757 24 T 3.9548 8.4032 111.1627 63.9741 69.4491 175.3252 25 G 3.9480 8.4313 109.3865 44.9620 0.0000 172.4453 26 A 4.7960 7.3396 122.1060 50.8037 20.6249 176.6890 27 R 4.3663 8.9748 122.7283 57.6228 32.0499 176.1383 28 E 5.0557 8.0568 119.1539 54.1971 32.7039 174.3250 29 L 5.1592 9.1064 126.2208 52.7521 45.5862 175.1460 30 K 4.9571 8.7832 124.3234 54.3164 34.5554 175.4995 31 V 3.9576 8.7291 128.5977 63.5104 32.0422 176.0911 32 I 4.3750 8.4164 127.3072 62.8173 39.7530 175.8361 33 S 4.6568 7.7530 114.7781 57.5072 67.9715 173.6169 34 V 4.5913 8.1754 121.4104 61.0025 33.5454 174.5158 35 H 4.1739 9.3184 128.6643 57.9184 30.0779 174.7346 36 G 3.9041 8.4774 112.8332 46.3325 0.0000 172.1058 37 Y 4.7136 7.7150 119.3700 55.4258 40.4713 175.3396 38 S 4.3760 7.2192 119.6798 56.7024 66.9028 172.4114 39 G 4.1019 7.7314 114.9888 44.7657 0.0000 175.7114 40 T 4.3549 8.3738 118.3233 59.9700 69.7826 171.7378 41 K 3.8369 8.5298 125.3769 58.4313 32.1618 176.8087 42 N 4.5112 8.9878 121.7968 53.5180 37.1578 174.3663 43 R 4.0832 7.9899 119.5306 55.5490 30.5494 175.7178 44 L 4.2112 8.4999 126.2424 53.4748 42.2539 174.8807 45 P 4.5038 0.0000 0.0000 63.5824 31.7798 175.2361 46 K 5.0557 7.8911 121.9062 55.1208 35.3640 175.2245 47 A 4.6944 8.7506 122.8061 50.8848 23.2213 176.0569 48 G 4.1539 9.1499 108.4174 44.2709 0.0000 171.4033 49 L 4.0929 8.1567 118.8619 56.8875 41.8435 178.3061 50 G 4.1124 8.9726 111.3805 45.4559 0.0000 173.2045 51 D 4.8141 7.8529 119.8272 53.5731 43.0025 175.3323 52 K 4.8009 8.6710 122.9989 55.0632 33.8665 175.0843 53 I 4.9563 8.4078 120.9587 59.4242 41.0515 174.7933 54 T 4.8339 8.8132 120.4610 63.0640 70.4028 174.0558 55 V 5.0086 9.2896 124.2731 61.7259 36.0330 173.2724 56 S 5.2060 8.7444 117.3442 56.3546 66.5798 173.1562 57 V 4.3002 8.3716 122.5730 62.9356 31.8319 176.4664 58 T 4.2669 8.7829 125.1510 64.9449 69.6672 175.5688 59 K 4.5379 8.6687 118.8959 54.6757 36.5541 177.4852 60 G 3.5160 8.5746 109.2783 44.9475 0.0000 173.1993 61 T 3.9940 8.2504 112.5831 60.9308 70.2458 173.0444 62 P 4.1983 0.0000 0.0000 66.2129 31.5556 178.2318 63 E 4.0953 8.1246 114.9793 59.6968 29.4287 178.8491 64 M 4.1877 7.4228 116.4770 56.9543 32.8285 177.5683 65 R 4.0287 7.7262 118.0417 57.8165 30.7498 178.3388 66 R 4.0913 8.6575 118.3235 56.8106 29.7544 177.0636 67 Q 4.1427 7.6227 117.3131 55.8605 30.0609 175.6207 68 V 4.4607 8.3216 123.0109 61.7354 32.6849 174.2490 69 L 4.9374 8.8935 128.4180 52.9655 46.0506 174.8839 70 E 5.1069 8.4488 118.9463 55.2817 32.7173 174.3663 71 A 5.0075 8.4492 124.7729 51.2257 23.8277 175.0074 72 V 4.6313 8.1924 118.1587 60.9139 34.9042 174.7969 73 V 4.0326 8.4915 128.3923 63.2356 31.9886 176.2355 74 V 4.0572 8.9498 128.4912 63.8968 33.5160 175.5393 75 R 4.1020 7.4197 117.7271 54.5178 34.6991 174.0508 76 Q 4.9207 8.0621 118.6309 54.9203 31.6967 175.9930 77 R 4.4572 9.1432 120.2642 58.5842 30.4533 177.7294 78 K 4.2123 7.8772 118.8073 55.4626 31.4116 175.3278 79 P 4.9026 0.0000 0.0000 63.2080 32.8076 174.9718 80 I 4.9107 8.4537 113.3920 59.4155 41.5727 173.7239 81 R 4.9612 8.9606 124.7785 55.0498 31.9257 175.4606 82 R 4.7201 8.7816 125.2884 54.1249 32.0360 175.7305 83 P 4.0082 0.0000 0.0000 66.0537 31.4199 177.0278 84 D 4.5752 8.0393 114.3256 53.3334 39.4472 177.0410 85 G 4.0154 8.7843 110.2261 45.8750 0.0000 174.5753 86 T 4.1481 7.8636 116.4428 63.7523 69.5936 173.8351 87 R 5.0940 8.4240 122.7687 54.7377 32.9811 175.8212 88 V 4.5331 8.7672 121.5700 61.0265 34.7702 174.4432 89 K 5.0298 8.3856 125.2608 55.4377 35.8659 175.2507 90 F 4.7722 8.9334 120.1128 55.5948 41.6966 176.5915 91 E 4.0443 9.0175 120.5778 58.8559 29.6974 175.2007 92 D 4.7468 7.7475 115.6668 52.7923 42.7260 173.5619 93 N 5.2649 8.7279 114.8158 51.7217 41.1372 174.1793 94 A 5.2748 9.0139 124.2523 50.5380 23.3550 174.6480 95 A 4.9922 9.0861 120.8234 50.2240 23.5958 175.1720 96 V 4.5813 8.2828 119.1971 60.6699 34.4699 175.1431 97 I 4.3730 8.5703 129.2192 61.5842 37.8815 175.5644 98 V 4.9284 8.4909 126.2418 60.1212 34.8689 174.7055 99 D 5.0846 7.9017 120.9635 51.6387 41.8542 176.2180 100 E 3.9394 8.8856 117.1731 60.1914 29.3701 177.9770 101 N 4.5190 8.8419 113.4392 53.6484 38.9323 175.5261 102 E 3.8519 8.2812 116.9437 56.8022 27.4396 173.7028 103 D 5.0946 8.2429 118.4781 51.3974 41.4327 174.3076 104 P 4.4227 0.0000 0.0000 63.0243 31.5081 177.3823 105 R 3.9784 8.7782 123.6049 58.5245 30.2083 176.4555 106 G 4.0428 7.1414 106.7386 44.6628 0.0000 172.7656 107 T 4.4266 8.5294 113.6181 63.9439 70.1065 174.9235 108 E 4.8165 8.9074 120.0254 54.4463 34.2639 174.4660 109 L 4.9876 8.4641 122.1478 53.0787 43.6668 176.0172 110 K 4.2175 8.4378 124.0752 56.5133 32.9535 178.2668 111 G 4.0193 8.9611 110.0549 44.2136 0.0000 170.6521 112 P 4.8511 0.0000 0.0000 62.9438 32.4097 175.5906 113 I 4.7777 8.3975 118.9671 59.3559 42.0583 174.7016 114 A 4.8387 8.1931 126.3076 51.6586 19.0300 178.8953 115 R 3.9113 8.5844 118.8410 59.8097 29.1836 179.2293 116 E 3.9281 8.2821 118.3627 59.0699 29.4113 179.1656 117 V 3.6272 7.9587 117.7476 65.0870 31.5046 178.0411 118 A 3.9954 8.1302 121.2424 55.3727 18.1769 179.2786 119 Q 4.0712 7.2948 112.6323 57.5457 28.8143 177.2931 120 R 4.0734 7.7542 117.4836 56.9469 32.5481 176.1116 121 F 4.8678 7.7368 118.7498 54.4551 39.1501 175.7850 122 G 3.8059 8.5156 111.6107 48.0557 0.0000 172.3428 123 S 4.2523 8.1271 118.0909 60.0932 62.6187 176.7120 124 V 3.5837 7.8411 121.1964 65.6450 31.4344 177.6871 125 A 4.1288 8.1541 120.8290 55.1330 18.0115 180.2138 126 S 4.5215 8.6901 109.5664 58.9093 62.6175 174.9396 127 A 4.6490 7.5367 121.3860 51.8316 20.3170 177.1067 128 A 4.2825 8.3548 119.9103 52.3056 19.3095 178.2200 129 T 4.2085 8.5476 118.4266 65.9652 69.5125 175.2539 130 M 4.8769 7.8151 119.8098 53.4285 35.8983 174.6371 131 I 4.7221 8.4255 122.7561 59.7090 39.9708 175.5646 132 V 4.0159 8.7374 127.0083 62.8443 31.5331 175.5442 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 M 8.30 4.45 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.59 0.00 2 E 8.31 3.91 0.00 1.94 1.80 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 2.27 2.33 0.00 3 A 9.28 4.05 1.23 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 0.00 0.00 4 L 8.49 4.01 0.00 1.65 1.74 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.12 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 7.45 4.50 1.20 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 7 D 8.65 4.73 0.00 2.62 2.61 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 8 V 8.41 4.63 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 0.96 0.00 0.00 9 T 7.80 4.47 4.26 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 1.22 0.00 0.00 10 Q 8.82 3.93 0.00 1.87 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.47 0.00 11 G 8.99 4.12 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 0.00 12 L 8.13 5.08 0.00 1.69 1.49 0.88 0.62 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 13 E 8.95 5.21 0.00 1.82 1.77 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 2.18 2.21 0.00 14 K 8.36 4.09 0.00 1.73 1.72 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.53 7.81 15 G 9.02 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.08 4.33 0.00 3.82 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 17 L 8.40 5.17 0.00 1.50 1.57 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.89 4.76 1.99 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 1.34 1.07 0.88 0.00 0.00 19 T 8.50 4.41 4.39 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 1.20 0.00 0.00 20 C 8.71 4.74 0.00 2.99 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.32 4.54 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 22 D 7.69 5.28 0.00 2.81 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 23 N 8.35 5.03 0.00 2.81 2.90 0.00 0.00 5.97 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 24 T 8.40 3.95 4.22 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 1.29 0.00 0.00 25 G 8.43 3.95 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 0.00 26 A 7.34 4.80 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 27 R 8.97 4.37 0.00 1.75 1.96 0.00 3.06 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 28 E 8.06 5.06 0.00 2.00 1.82 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 2.24 2.28 0.00 29 L 9.11 5.16 0.00 1.52 1.48 0.88 0.64 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 30 K 8.78 4.96 0.00 1.77 1.63 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.33 7.81 31 V 8.73 3.96 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.94 0.00 0.00 32 I 8.42 4.37 1.97 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 1.22 0.96 0.91 0.00 0.00 33 S 7.75 4.66 0.00 3.75 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 34 V 8.18 4.59 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 0.98 0.00 0.00 0.80 0.00 0.00 35 H 9.32 4.17 0.00 3.15 3.36 0.00 6.15 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.48 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 7.72 4.71 0.00 2.94 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 38 S 7.22 4.38 0.00 3.79 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.73 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.37 4.35 4.22 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 1.23 0.00 0.00 41 K 8.53 3.84 0.00 1.75 1.75 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.50 7.81 42 N 8.99 4.51 0.00 2.95 3.01 0.00 0.00 7.07 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 43 R 7.99 4.08 0.00 1.80 2.06 0.00 3.37 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 44 L 8.50 4.21 0.00 1.85 1.61 1.01 1.14 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 45 P 0.00 4.50 0.00 2.10 2.43 0.00 3.69 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 46 K 7.89 5.06 0.00 1.63 1.72 0.00 1.51 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.07 1.13 7.81 47 A 8.75 4.69 1.11 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 0.00 0.00 48 G 9.15 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 0.00 0.00 0.00 49 L 8.16 4.09 0.00 1.67 1.67 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.97 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 0.00 0.00 0.00 51 D 7.85 4.81 0.00 2.76 2.61 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 52 K 8.67 4.80 0.00 1.88 1.71 0.00 1.55 0.00 0.00 1.76 0.00 0.00 2.71 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.45 7.81 53 I 8.41 4.96 1.95 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 1.17 0.74 0.88 0.00 0.00 54 T 8.81 4.83 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 1.27 0.00 0.00 55 V 9.29 5.01 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 1.10 0.00 0.00 0.94 0.00 0.00 56 S 8.74 5.21 0.00 3.89 3.89 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 57 V 8.37 4.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.91 0.00 0.00 58 T 8.78 4.27 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 1.32 0.00 0.00 59 K 8.67 4.54 0.00 1.72 1.62 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.41 7.81 60 G 8.57 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.25 3.99 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 1.24 0.00 0.00 62 P 0.00 4.20 0.00 2.03 2.19 0.00 3.68 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 2.04 2.21 0.00 63 E 8.12 4.10 0.00 1.93 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 2.31 2.35 0.00 64 M 7.42 4.19 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.71 0.00 65 R 7.73 4.03 0.00 2.01 1.86 0.00 3.22 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 66 R 8.66 4.09 0.00 1.98 2.10 0.00 3.16 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 67 Q 7.62 4.14 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 68 V 8.32 4.46 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 0.79 0.00 0.00 0.93 0.00 0.00 69 L 8.89 4.94 0.00 1.54 1.51 0.90 0.47 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 70 E 8.45 5.11 0.00 1.99 1.83 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 2.22 2.26 0.00 71 A 8.45 5.01 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 72 V 8.19 4.63 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 -0.27 0.00 0.00 73 V 8.49 4.03 2.20 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 0.85 0.00 0.00 0.89 0.00 0.00 74 V 8.95 4.06 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 0.79 0.00 0.00 0.94 0.00 0.00 75 R 7.42 4.10 0.00 1.48 1.24 0.00 3.20 0.00 0.00 3.59 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.23 0.00 76 Q 8.06 4.92 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.66 0.00 77 R 9.14 4.46 0.00 1.85 2.07 0.00 3.14 0.00 0.00 3.03 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.56 0.00 78 K 7.88 4.21 0.00 1.76 1.73 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.55 7.81 79 P 0.00 4.90 0.00 2.13 1.98 0.00 3.61 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 80 I 8.45 4.91 2.04 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.09 0.99 0.00 0.00 81 R 8.96 4.96 0.00 1.89 1.83 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 82 R 8.78 4.72 0.00 1.80 1.82 0.00 3.23 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 83 P 0.00 4.01 0.00 2.03 2.16 0.00 3.67 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 2.04 2.12 0.00 84 D 8.04 4.58 0.00 2.78 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.78 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.86 4.15 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 1.19 0.00 0.00 87 R 8.42 5.09 0.00 1.66 1.83 0.00 3.32 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 88 V 8.77 4.53 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 0.76 0.00 0.00 0.90 0.00 0.00 89 K 8.39 5.03 0.00 1.97 1.71 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.24 1.40 7.81 90 F 8.93 4.77 0.00 3.28 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 91 E 9.02 4.04 0.00 1.96 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 2.31 2.26 0.00 92 D 7.75 4.75 0.00 2.68 2.64 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 93 N 8.73 5.26 0.00 2.62 2.71 0.00 0.00 6.47 7.45 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 94 A 9.01 5.27 1.11 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 0.00 0.00 95 A 9.09 4.99 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 96 V 8.28 4.58 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 0.99 0.00 0.00 0.92 0.00 0.00 97 I 8.57 4.37 1.83 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 1.24 0.41 0.90 0.00 0.00 98 V 8.49 4.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.81 0.00 0.00 99 D 7.90 5.08 0.00 2.83 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 0.00 100 E 8.89 3.94 0.00 1.97 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 2.31 2.34 0.00 101 N 8.84 4.52 0.00 2.94 2.87 0.00 0.00 7.21 7.61 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 0.00 102 E 8.28 3.85 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 103 D 8.24 5.09 0.00 2.87 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 0.00 104 P 0.00 4.42 0.00 2.19 2.17 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 105 R 8.78 3.98 0.00 1.75 1.98 0.00 3.22 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 106 G 7.14 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.53 4.43 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 1.21 0.00 0.00 108 E 8.91 4.82 0.00 1.82 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 109 L 8.46 4.99 0.00 1.51 1.57 0.95 0.93 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 0.00 110 K 8.44 4.22 0.00 1.67 1.74 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.38 7.81 111 G 8.96 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.85 0.00 2.26 2.16 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.11 0.00 113 I 8.40 4.78 1.90 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 1.13 0.68 0.92 0.00 0.00 114 A 8.19 4.84 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 0.00 115 R 8.58 3.91 0.00 2.11 2.26 0.00 2.81 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 116 E 8.28 3.93 0.00 2.11 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 2.42 2.60 0.00 117 V 7.96 3.63 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 1.22 0.00 0.00 0.99 0.00 0.00 118 A 8.13 4.00 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 0.00 119 Q 7.29 4.07 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 120 R 7.75 4.07 0.00 1.16 0.66 0.00 2.87 0.00 0.00 2.87 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.30 0.00 121 F 7.74 4.87 0.00 3.14 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 0.00 122 G 8.52 3.81 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 0.00 0.00 0.00 123 S 8.13 4.25 0.00 4.07 4.18 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 0.00 124 V 7.84 3.58 2.38 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 1.04 0.00 0.00 0.89 0.00 0.00 125 A 8.15 4.13 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 0.00 126 S 8.69 4.52 0.00 4.03 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 A 7.54 4.65 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 0.00 128 A 8.35 4.28 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 0.00 129 T 8.55 4.21 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 1.22 0.00 0.00 130 M 7.82 4.88 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 131 I 8.43 4.72 1.90 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 1.26 0.63 0.95 0.00 0.00 132 V 8.74 4.02 2.16 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 0.87 0.00 0.00 0.97 0.00 0.00