NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1881 8.1727 122.0514 56.2742 34.1056 173.9390 2 V 4.6026 8.1824 127.0722 60.6935 32.5320 174.5227 3 F 4.4283 10.0291 128.8600 57.5866 40.2452 174.8270 4 E 4.3231 9.2653 120.9444 55.4509 31.1840 176.6791 5 R 3.4437 9.0689 120.2782 60.9988 29.9640 179.3876 6 C 4.3529 8.0495 115.3686 59.6545 41.5951 175.8018 7 E 3.9126 8.1052 120.7637 59.2168 29.3359 178.4689 8 L 3.6108 8.0344 120.1239 57.8468 42.0623 178.5596 9 A 3.9454 7.8873 120.7083 55.4798 18.2345 179.9327 10 R 3.9034 8.0676 116.3849 59.4984 29.9411 179.3828 11 T 3.8587 8.0419 115.6508 66.7247 68.5925 176.6933 12 L 3.8557 8.2054 121.2463 57.5205 41.5949 179.4597 13 K 3.9556 8.1623 119.6665 59.6115 31.9306 179.1334 14 R 4.0477 8.1457 117.4789 58.4823 30.0012 177.9281 15 L 4.4105 7.2474 116.9403 54.1130 41.7743 176.9247 16 G 3.8709 7.7833 106.9417 46.7747 0.0000 175.0171 17 M 3.9745 7.7772 120.7701 56.3255 32.3845 175.7503 18 D 4.4304 8.0432 117.9812 55.6953 41.1397 175.7095 19 G 3.9292 9.4096 115.5547 45.5676 0.0000 171.3672 20 Y 4.2079 8.2944 122.0110 58.6421 38.9198 176.4205 21 R 3.6431 9.0341 127.2117 57.2992 27.7861 177.3200 22 G 3.8304 8.1601 103.5685 45.6191 0.0000 173.9700 23 I 4.0869 7.5174 122.0602 59.1656 38.2021 175.9085 24 S 4.6200 8.3161 120.2517 57.6794 63.9927 174.8253 25 L 4.1946 8.8125 123.0506 58.7046 41.7144 179.2040 26 A 4.1270 8.2407 119.9599 55.5512 18.1803 179.2619 27 N 4.4033 8.0895 114.4429 56.2954 38.5387 177.7398 28 W 4.2636 8.0218 119.9073 59.9338 29.1122 178.3609 29 M 4.1586 8.6014 119.0818 58.6240 31.4829 177.9283 30 C 3.2786 8.0498 118.6248 59.1356 44.7102 175.3851 31 L 4.0094 8.2157 121.7322 58.2082 41.7525 178.8278 32 A 4.1665 8.4806 121.0340 54.9674 18.3426 179.4571 33 K 3.0705 8.4950 118.4945 59.4096 32.0748 179.1095 34 W 4.2156 7.8654 117.2752 59.1028 29.0541 178.3284 35 E 4.3687 8.3482 118.7052 58.6131 29.3303 177.7234 36 S 4.5181 7.9610 109.0856 56.7633 64.8136 174.4056 37 G 3.4405 8.2710 108.7102 47.0324 0.0000 173.5505 38 Y 3.6709 7.7672 113.5628 58.6114 35.2352 168.5028 39 N 5.2878 7.6467 119.8550 52.1234 39.7840 175.5809 40 T 4.1713 9.0465 117.8852 63.6105 69.8747 175.8334 41 R 4.5896 7.9949 117.0924 55.7179 30.4997 176.5155 42 A 4.3380 7.8459 123.1608 53.0033 19.3836 177.3090 43 T 5.1251 8.2825 110.4652 60.2358 72.3688 172.8707 44 N 4.9445 8.7548 121.7008 52.4233 42.5981 172.2493 45 Y 4.9154 8.7550 127.2743 56.6764 41.2187 173.8597 46 N 4.8821 8.1958 124.2422 51.1293 39.2106 175.3137 47 A 3.7343 8.3083 127.6952 54.5802 19.0703 179.1691 48 G 3.7533 8.1618 104.5934 48.3032 0.0000 174.0843 49 D 4.7799 7.6737 115.6529 51.7501 39.8943 175.6163 50 R 3.8891 7.9460 116.3406 56.9474 28.2056 175.6383 51 S 5.0051 7.6405 109.7783 56.8600 67.1116 172.7609 52 T 5.1111 8.8101 115.7082 61.9666 72.6781 172.9250 53 D 5.3633 8.9430 125.6283 53.4712 42.9475 175.1328 54 Y 4.8566 9.0989 120.8354 57.4108 41.8144 177.5568 55 G 4.4552 8.8511 111.1703 45.9191 0.0000 173.6256 56 I 3.9552 8.2389 116.9001 62.9234 37.9346 177.4984 57 F 4.7137 7.9003 115.5942 56.3195 39.7924 175.3232 58 Q 3.5721 7.8916 119.1822 57.1045 26.6047 174.3567 59 I 4.3604 8.1543 118.9164 61.1211 39.1382 176.9418 60 N 5.3534 9.2519 126.4806 53.4856 39.6854 175.7414 61 S 4.5765 9.2582 121.0122 60.8042 63.3821 175.4827 62 R 3.7466 8.7587 122.1821 58.7017 30.3276 177.7612 63 Y 4.3303 7.8141 114.7398 57.9879 40.5980 177.1691 64 W 4.7179 8.3056 118.9435 57.5272 30.3653 173.5424 65 C 5.5700 7.9690 110.0186 53.5278 44.3165 172.2009 66 N 4.9495 8.9266 119.4611 52.0748 39.8662 174.6737 67 D 4.8535 8.4204 122.6129 52.1287 40.4915 178.2817 68 G 4.0991 8.3585 110.9500 46.7113 0.0000 175.1976 69 K 4.2364 8.2909 116.9573 57.6293 33.3582 176.8750 70 T 4.3585 7.6807 118.1325 62.1034 68.7251 172.8795 71 P 4.1449 0.0000 0.0000 64.2015 31.8596 176.0734 72 A 3.6780 8.4897 124.8417 52.9423 16.2444 176.4792 73 A 4.4381 7.7136 120.8681 52.3681 20.4959 177.3226 74 V 4.4270 8.1949 112.9043 59.6802 35.3277 176.1921 75 N 4.9087 7.9758 115.8493 51.7405 38.4431 174.2847 76 A 3.9338 8.6014 124.0618 55.1017 19.0668 178.4291 77 C 4.5755 8.5362 111.0204 57.2213 41.1488 173.0301 78 H 4.0474 7.9480 116.4958 56.6339 26.3467 174.1951 79 L 4.8338 8.2286 117.4951 52.8638 46.4501 176.7623 80 S 4.6418 8.3483 115.3494 58.0101 63.3167 176.0241 81 C 4.1092 8.7986 124.0993 59.5624 40.4733 176.4057 82 S 3.9143 7.9030 115.0490 61.2147 61.6760 175.9032 83 A 4.0403 7.8190 122.5170 54.4212 18.1213 177.9423 84 L 4.4485 7.7676 116.3154 55.1068 41.8149 177.5711 85 L 5.0371 7.9368 117.7750 54.5743 42.3339 176.6078 86 Q 4.4400 7.8456 117.3300 55.1049 29.8014 175.9519 87 D 4.4423 8.5739 120.2565 57.2267 41.1472 176.9694 88 N 4.5717 8.0447 117.9632 53.3424 39.4636 174.6627 89 I 4.2816 8.4203 118.4331 60.9765 38.0747 177.1070 90 A 3.9350 8.4877 125.2629 55.9978 18.1583 180.2015 91 D 4.2996 8.0688 116.5201 57.3639 40.9920 178.6988 92 A 4.0801 7.9464 120.9294 55.1387 18.3785 179.7129 93 V 3.4269 8.2329 116.9875 65.9304 31.5687 178.1010 94 A 3.8144 8.0074 120.5799 55.2693 18.1505 178.8515 95 C 4.2169 8.3918 116.7989 59.7282 38.8327 175.6184 96 A 3.8880 8.4313 122.7882 55.0352 17.5821 179.7791 97 K 3.7268 7.7586 116.5773 59.3912 32.1432 179.2352 98 R 4.0796 7.8057 119.0692 59.3036 29.8942 178.6260 99 V 2.5698 7.5678 118.1147 65.8292 31.2980 178.1208 100 V 3.8177 7.7645 110.3211 63.0964 31.2836 178.3593 101 R 4.0924 7.6118 117.6372 57.7358 30.3187 176.5905 102 D 4.6686 7.4125 119.0234 53.0064 41.7558 175.4224 103 P 4.1993 0.0000 0.0000 66.1821 31.5891 178.3967 104 Q 4.0182 8.1697 116.1476 56.6747 29.9904 177.5440 105 G 3.7564 7.8859 107.2685 46.9166 0.0000 176.4351 106 I 3.4226 7.7881 120.7519 63.4869 37.8563 177.6279 107 R 4.2174 7.2837 116.9922 57.3849 29.9419 177.3381 108 A 4.0101 7.6347 121.5560 54.2608 18.7191 177.8215 109 W 4.6608 7.9678 116.5874 55.4551 29.8762 177.3256 110 V 3.7099 8.8412 123.6518 66.2184 30.8307 177.6662 111 A 4.0502 8.2950 119.9143 54.8135 18.1259 179.3045 112 W 3.9580 8.3414 126.7965 60.6809 30.6010 178.4863 113 R 3.7589 8.2440 116.4199 59.2520 29.6550 178.4023 114 N 4.4123 8.3472 115.7931 55.4667 38.7034 176.7994 115 R 4.1752 7.6446 113.2022 55.9510 30.2839 175.3848 116 C 4.4652 7.0989 115.8474 57.8680 43.0627 174.1910 117 Q 3.1930 6.7571 120.7836 56.9440 28.6158 175.4070 118 N 4.1708 8.5876 121.6824 54.4142 36.2407 173.9366 119 R 4.4789 7.2932 114.7153 54.1024 32.9710 175.7656 120 D 4.5799 8.4634 119.1849 54.1002 40.7050 175.8274 121 V 4.7018 8.1965 119.2879 61.2744 32.4353 178.2716 122 R 4.0395 8.2377 122.9137 59.3895 29.9904 178.9838 123 Q 4.0372 8.2088 114.3762 59.2670 28.3636 177.6735 124 Y 4.2106 7.9674 115.4455 60.0184 38.3168 176.7284 125 V 4.4148 7.8487 110.7764 60.7279 33.2153 175.6147 126 Q 4.2076 7.9753 119.9289 57.1901 28.9058 176.9569 127 G 3.9756 8.8958 110.0404 45.9782 0.0000 174.5802 128 C 4.4544 8.0151 115.5400 56.6353 40.6574 173.7156 129 G 3.8246 8.0871 107.2582 47.0043 0.0000 174.1963 130 V 4.0131 7.9009 117.8269 61.0925 32.0880 175.9537 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 K 8.17 4.19 0.00 2.01 1.66 0.00 1.24 0.00 0.00 0.86 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.95 1.14 7.81 2 V 8.18 4.60 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 0.91 0.00 0.00 0.95 0.00 0.00 3 F 10.03 4.43 0.00 2.85 2.84 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 4 E 9.27 4.32 0.00 1.94 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 2.31 2.24 0.00 5 R 9.07 3.44 0.00 2.03 1.94 0.00 3.35 0.00 0.00 3.42 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.89 0.00 6 C 8.05 4.35 0.00 3.01 3.12 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 7 E 8.11 3.91 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.40 0.00 8 L 8.03 3.61 0.00 1.38 1.35 -0.20 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.89 3.95 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 10 R 8.07 3.90 0.00 1.89 1.99 0.00 3.14 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 11 T 8.04 3.86 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 12 L 8.21 3.86 0.00 1.70 1.57 0.91 0.35 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 13 K 8.16 3.96 0.00 1.93 1.91 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.50 7.81 14 R 8.15 4.05 0.00 1.93 1.97 0.00 3.21 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 15 L 7.25 4.41 0.00 1.58 1.56 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.78 3.87 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 0.00 17 M 7.78 3.97 0.00 1.40 1.98 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.21 0.00 18 D 8.04 4.43 0.00 2.68 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 9.41 3.93 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 0.00 0.00 0.00 20 Y 8.29 4.21 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 21 R 9.03 3.64 0.00 1.91 1.86 0.00 3.25 0.00 0.00 3.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.38 0.00 22 G 8.16 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 23 I 7.52 4.09 1.75 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 0.89 0.56 -0.23 0.00 0.00 24 S 8.32 4.62 0.00 4.06 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 25 L 8.81 4.19 0.00 2.07 1.82 1.02 1.59 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 26 A 8.24 4.13 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.09 4.40 0.00 2.83 2.75 0.00 0.00 7.01 7.00 0.00 0.00 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 W 8.02 4.26 0.00 3.56 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 29 M 8.60 4.16 0.00 2.21 2.37 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.95 0.00 30 C 8.05 3.28 0.00 2.47 3.12 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 31 L 8.22 4.01 0.00 1.83 1.89 0.69 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.48 4.17 1.49 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 0.00 0.00 33 K 8.50 3.07 0.00 1.62 1.90 0.00 0.76 0.00 0.00 1.05 0.00 0.00 2.56 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.26 0.39 7.81 34 W 7.87 4.22 0.00 3.47 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.35 4.37 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.42 0.00 36 S 7.96 4.52 0.00 4.06 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 37 G 8.27 3.44 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 0.00 0.00 0.00 38 Y 7.77 3.67 0.00 3.28 3.01 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 39 N 7.65 5.29 0.00 2.76 2.87 0.00 0.00 7.00 7.06 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 40 T 9.05 4.17 4.43 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 0.00 0.00 0.00 1.45 0.00 0.00 41 R 7.99 4.59 0.00 1.91 2.09 0.00 3.09 0.00 0.00 3.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.81 0.00 42 A 7.85 4.34 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 43 T 8.28 5.13 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 44 N 8.75 4.94 0.00 2.91 2.74 0.00 0.00 6.81 7.57 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 45 Y 8.75 4.92 0.00 2.98 2.84 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 46 N 8.20 4.88 0.00 2.61 2.58 0.00 0.00 6.68 8.12 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 47 A 8.31 3.73 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 48 G 8.16 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 49 D 7.67 4.78 0.00 2.70 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.95 3.89 0.00 2.02 2.17 0.00 3.09 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.52 0.00 51 S 7.64 5.01 0.00 3.86 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 52 T 8.81 5.11 4.21 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 0.66 0.00 0.00 53 D 8.94 5.36 0.00 2.75 2.75 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 54 Y 9.10 4.86 0.00 2.92 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 55 G 8.85 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 0.00 0.00 0.00 0.00 56 I 8.24 3.96 1.65 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.86 0.00 0.00 0.00 57 F 7.90 4.71 0.00 3.18 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 7.89 3.57 0.00 2.52 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 6.84 0.00 0.00 0.00 0.00 0.00 2.53 2.72 0.00 59 I 8.15 4.36 2.14 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.16 1.11 0.00 0.00 60 N 9.25 5.35 0.00 3.13 3.08 0.00 0.00 6.97 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 9.26 4.58 0.00 4.07 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 0.00 62 R 8.76 3.75 0.00 1.58 1.39 0.00 2.65 0.00 0.00 2.84 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.01 0.00 63 Y 7.81 4.33 0.00 1.83 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 0.00 0.00 0.00 64 W 8.31 4.72 0.00 3.63 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 C 7.97 5.57 0.00 3.13 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 66 N 8.93 4.95 0.00 2.78 2.69 0.00 0.00 7.09 9.14 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 67 D 8.42 4.85 0.00 2.98 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 68 G 8.36 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 69 K 8.29 4.24 0.00 1.88 1.97 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.60 1.49 7.81 70 T 7.68 4.36 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 71 P 0.00 4.14 0.00 2.02 1.99 0.00 3.82 0.00 0.00 3.88 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 72 A 8.49 3.68 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 73 A 7.71 4.44 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 74 V 8.19 4.43 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 0.64 0.00 0.00 0.88 0.00 0.00 75 N 7.98 4.91 0.00 2.70 2.58 0.00 0.00 6.75 7.70 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 76 A 8.60 3.93 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 77 C 8.54 4.58 0.00 3.33 3.24 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 78 H 7.95 4.05 0.00 3.29 3.37 0.00 5.80 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 79 L 8.23 4.83 0.00 1.68 1.49 1.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.35 4.64 0.00 3.83 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 C 8.80 4.11 0.00 2.28 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 82 S 7.90 3.91 0.00 3.88 3.82 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 83 A 7.82 4.04 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 84 L 7.77 4.45 0.00 1.92 1.81 1.05 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.94 5.04 0.00 1.75 1.70 1.14 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.85 4.44 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.22 7.08 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 87 D 8.57 4.44 0.00 2.63 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.04 4.57 0.00 2.70 2.74 0.00 0.00 6.92 7.94 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 89 I 8.42 4.28 1.75 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.95 0.95 0.00 0.00 90 A 8.49 3.94 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 91 D 8.07 4.30 0.00 2.74 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 92 A 7.95 4.08 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 93 V 8.23 3.43 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.87 0.00 0.00 94 A 8.01 3.81 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 95 C 8.39 4.22 0.00 3.15 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.43 3.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.76 3.73 0.00 1.59 1.36 0.00 1.26 0.00 0.00 0.70 0.00 0.00 2.34 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.30 0.86 7.81 98 R 7.81 4.08 0.00 2.00 2.15 0.00 3.29 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.98 0.00 99 V 7.57 2.57 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 -0.25 0.00 0.00 -0.62 0.00 0.00 100 V 7.76 3.82 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 1.45 0.00 0.00 101 R 7.61 4.09 0.00 1.96 2.06 0.00 3.24 0.00 0.00 3.39 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.12 0.00 102 D 7.41 4.67 0.00 2.95 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.20 0.00 2.01 2.13 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 104 Q 8.17 4.02 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.89 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 105 G 7.89 3.76 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 0.00 0.00 0.00 106 I 7.79 3.42 1.03 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.17 -0.36 -0.57 0.00 0.00 107 R 7.28 4.22 0.00 2.03 2.02 0.00 3.22 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.49 0.00 108 A 7.63 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 7.97 4.66 0.00 3.59 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 0.00 110 V 8.84 3.71 2.19 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 1.18 0.00 0.00 0.99 0.00 0.00 111 A 8.30 4.05 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 0.00 112 W 8.34 3.96 0.00 3.52 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 R 8.24 3.76 0.00 2.10 2.01 0.00 3.64 0.00 0.00 3.51 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.22 0.00 114 N 8.35 4.41 0.00 2.67 2.72 0.00 0.00 6.88 7.33 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 0.00 115 R 7.64 4.18 0.00 0.85 1.01 0.00 2.76 0.00 0.00 2.89 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.63 0.00 116 C 7.10 4.47 0.00 1.64 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 0.00 117 Q 6.76 3.19 0.00 0.93 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.80 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 118 N 8.59 4.17 0.00 2.79 2.81 0.00 0.00 6.95 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 0.00 119 R 7.29 4.48 0.00 1.77 1.78 0.00 3.21 0.00 0.00 3.04 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 120 D 8.46 4.58 0.00 2.65 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.20 4.70 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.03 0.00 0.00 122 R 8.24 4.04 0.00 1.87 2.03 0.00 3.27 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 123 Q 8.21 4.04 0.00 1.99 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.12 0.00 0.00 0.00 0.00 0.00 2.27 1.80 0.00 124 Y 7.97 4.21 0.00 3.27 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 0.00 125 V 7.85 4.41 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 1.04 0.00 0.00 1.06 0.00 0.00 126 Q 7.98 4.21 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.74 0.00 0.00 0.00 0.00 0.00 2.51 2.32 0.00 127 G 8.90 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 0.00 128 C 8.02 4.45 0.00 3.10 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 0.00 129 G 8.09 3.82 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 0.00 0.00 0.00 130 V 7.90 4.01 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 0.80 0.00 0.00 0.97 0.00 0.00