NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 P 4.3540 0.0000 0.0000 62.3605 32.6851 175.1834 8 E 4.5394 8.2317 119.9348 52.2759 32.8023 174.6848 9 T 4.1272 9.4692 112.5765 61.6485 71.5263 175.0603 10 L 4.0359 8.3696 121.4553 57.9589 41.6050 179.7413 11 E 3.9849 8.1880 117.8665 59.2762 29.5234 178.9748 12 A 3.9962 8.0882 120.6862 55.2979 18.4362 179.8886 13 R 3.8898 8.0182 116.5309 59.5517 30.2054 179.2220 14 I 3.3886 8.1990 118.5321 64.0011 37.6530 177.7084 15 N 4.3240 8.0157 116.7717 56.1596 38.4645 177.3718 16 R 4.0080 8.0438 119.3611 59.2442 30.0073 179.0211 17 A 3.9375 8.1229 119.7955 54.0046 18.3659 178.1931 18 T 4.0649 7.3562 105.9944 60.9307 69.4290 173.3076 19 N 4.2221 7.5670 122.0322 53.7576 39.0752 173.9919 20 P 4.5636 0.0000 0.0000 64.5299 31.6433 177.2166 21 L 4.3127 8.3233 117.9180 56.1579 42.0178 177.2209 22 N 4.4568 7.8643 116.6425 53.7875 38.8260 175.4197 23 K 4.1839 8.8059 122.4105 58.7456 32.6370 176.4576 24 E 4.8201 7.8605 114.0350 54.4859 32.1724 174.5651 25 L 3.7334 8.6781 119.4181 55.7194 41.9585 178.3880 26 D 4.5977 8.1255 123.1984 52.7734 39.8249 176.4275 27 W 4.1652 8.2914 125.2250 58.8976 29.4161 177.3057 28 A 4.0886 8.2385 120.4796 55.5811 17.7526 179.8033 29 S 4.1213 8.2165 112.9481 61.6154 62.8161 176.6445 30 I 3.6379 7.8213 122.6155 64.7958 36.8275 178.1879 31 N 4.5607 8.7650 117.3074 56.3564 38.4447 177.6788 32 G 3.8393 8.2806 107.1542 48.6035 0.0000 175.3931 33 F 3.9798 8.5162 122.9373 61.3891 39.2350 176.6375 34 C 4.0356 7.8506 114.3760 59.7790 35.0079 175.2837 35 E 3.9540 8.3181 121.0938 59.5966 29.2524 178.7482 36 Q 3.8898 8.4743 119.9000 58.9386 28.9917 178.1625 37 L 3.8122 7.6279 120.4466 57.9737 40.1441 178.0877 38 N 4.5869 7.4672 115.1011 53.7642 38.9790 175.5073 39 E 4.1137 7.9345 120.8841 57.5872 30.1070 175.9675 40 D 5.0801 7.5612 117.4550 52.1752 44.3662 176.4851 41 F 4.2604 8.8423 124.0056 61.0515 39.8959 177.1936 42 E 4.0651 8.3098 119.0044 58.8450 29.3267 178.7282 43 G 3.7057 7.4038 108.3649 46.8642 0.0000 173.6632 44 P 4.3555 0.0000 0.0000 64.5126 31.5942 177.0594 45 P 4.1940 0.0000 0.0000 65.2537 31.2368 178.4384 46 L 3.9290 7.7678 118.6329 58.0728 42.0335 178.6974 47 A 4.2289 8.4005 121.1499 55.8347 18.2444 179.8288 48 T 3.8559 7.8361 114.0706 66.4291 68.3570 177.1566 49 R 3.9758 7.9703 120.3841 59.5407 30.1750 178.6809 50 L 4.0850 8.1858 118.7614 57.7212 41.5594 179.3765 51 L 3.9816 8.5790 119.1963 57.8421 41.4845 179.3849 52 A 4.0993 8.4927 120.6953 55.4137 18.0901 178.9955 53 H 4.0654 7.8139 115.6308 59.5520 30.2778 177.2356 54 K 4.0254 8.0094 120.0566 59.6206 31.6605 179.4230 55 I 3.7992 7.9431 119.2517 64.0640 36.9905 177.4246 56 Q 4.3880 7.3942 116.7956 54.8023 29.0024 175.8722 57 S 4.1548 7.3197 115.9323 57.7700 62.7739 172.8965 58 P 4.2962 0.0000 0.0000 64.4216 31.6087 176.8148 59 Q 4.3902 8.0290 118.9171 54.2234 29.2763 175.6375 60 E 3.9425 8.7842 126.6486 59.3158 29.8817 178.5730 61 W 4.4912 8.2629 127.5091 60.1746 30.7377 177.4881 62 E 3.8654 8.4122 120.3614 58.5088 29.1949 178.3781 63 A 4.1030 7.8805 120.7472 55.1805 18.3965 179.7188 64 I 3.6698 8.0714 118.6265 64.6431 37.1736 178.6787 65 Q 3.5476 7.4706 118.3797 58.6237 28.4032 178.7320 66 A 3.8054 7.7214 121.6964 55.2486 18.4254 179.7634 67 L 4.2371 8.0576 117.3912 58.0964 41.5279 179.9732 68 T 3.9262 7.9878 116.0255 66.4404 68.2730 176.7129 69 V 3.5108 7.9580 120.5899 65.9022 31.5030 177.6495 70 L 4.1342 8.4124 120.2845 58.2856 42.0552 178.3917 71 E 4.2809 8.8031 119.4993 59.8390 29.3719 178.8880 72 T 4.0193 8.0627 114.2358 67.1543 68.8991 175.7851 73 C 4.4112 8.5801 118.5157 60.2446 39.8996 176.1354 74 M 4.1552 8.2666 119.5083 58.0363 31.6025 178.4428 75 K 4.2942 7.9401 117.2593 57.6335 32.8064 177.7147 76 S 4.4326 7.3192 115.8141 58.3999 63.3993 174.2758 77 C 4.4218 8.5022 116.5172 58.0892 29.9455 173.9351 78 G 3.5828 7.5127 111.2178 45.5928 0.0000 174.7052 79 K 3.8925 8.8258 126.2921 59.6112 32.3904 178.7577 80 R 3.8588 7.9866 117.8665 59.4209 30.0235 178.6400 81 F 4.0305 8.0378 119.5842 61.5251 39.5378 176.4777 82 H 3.8793 7.7595 115.9658 59.0826 28.2632 177.4835 83 D 4.3950 8.1107 119.7530 57.4041 40.3991 178.4200 84 E 3.9290 7.8575 119.1042 59.2598 29.2006 179.5729 85 V 3.3349 7.0610 117.3977 64.8204 31.3960 176.8478 86 G 3.9050 7.2607 104.2378 43.8897 0.0000 173.2581 87 K 4.3946 6.8666 118.7975 53.8102 34.7008 177.8250 88 F 4.5974 7.9481 120.4181 60.5201 38.5179 177.7707 89 R 3.9890 8.1303 117.5962 59.1109 29.9574 177.4800 90 F 4.4639 8.0221 119.2013 60.7395 39.9560 177.2691 91 L 3.9505 8.3632 118.9701 58.2218 41.4258 179.4052 92 N 4.3073 8.7073 116.4207 56.1451 38.2018 177.0905 93 E 3.9831 8.2099 120.3784 58.7247 29.4056 179.0664 94 L 3.9974 7.3756 118.7882 57.7039 41.7745 179.2540 95 I 3.7421 7.8571 119.8404 64.2846 36.9308 178.4482 96 K 3.9122 7.8646 119.2923 59.5844 31.7875 179.4050 97 V 3.5815 7.4498 116.8960 65.9434 31.2552 178.0447 98 V 3.9835 7.4158 109.8341 61.3533 32.2190 176.1115 99 S 4.5933 7.6752 114.6913 56.2662 62.9490 173.2257 100 P 4.2992 0.0000 0.0000 65.3072 31.3833 178.6826 101 K 3.5983 7.3117 115.7602 58.3464 33.5537 177.2030 102 Y 4.5130 7.4895 111.1110 58.2723 38.5083 176.1761 103 L 4.5191 5.9259 132.3481 55.3076 43.2332 178.7223 104 G 3.8967 8.5075 109.6532 48.9354 0.0000 175.4722 105 S 4.5066 7.9574 113.3083 59.1022 63.2916 174.5081 106 R 4.6732 7.8668 115.6982 55.7437 29.7508 175.0068 107 T 4.6332 7.3537 114.5896 61.8886 71.0283 175.2276 108 S 4.3582 8.3340 120.1359 58.3819 65.0752 175.1523 109 E 3.9857 8.6321 122.8695 58.8664 29.4624 178.7815 110 K 3.8721 8.0461 119.5780 59.5331 32.2991 178.6720 111 V 3.5851 7.6776 118.0009 65.9580 31.5051 178.1056 112 K 3.9808 7.9419 117.9472 59.7133 31.8723 179.1958 113 N 4.3771 8.5054 117.0378 55.9850 38.3195 177.4206 114 K 3.9303 8.0600 121.1260 59.4878 32.2176 178.9317 115 I 3.6709 7.7890 119.9871 64.4491 37.0639 178.4122 116 L 4.0875 8.0287 119.7318 57.7465 41.4234 179.2318 117 E 3.9617 8.4867 118.8910 59.5303 29.4735 179.5161 118 L 3.3623 7.8001 118.5792 57.5086 41.6278 179.3255 119 L 3.7022 7.4667 118.9747 58.0432 41.5393 178.9605 120 Y 3.2601 7.7953 119.2729 60.5685 38.6583 178.4391 121 S 3.9252 7.7224 114.9628 61.2239 62.9552 176.5282 122 W 4.5193 7.6732 122.7238 59.5313 28.5869 178.6344 123 T 4.0228 7.5470 109.1961 64.3322 68.0536 176.4401 124 V 3.7396 6.9941 120.1062 65.5225 31.8445 177.9480 125 G 3.8246 8.4104 104.2042 46.0133 0.0000 173.8417 126 L 4.8081 8.1820 120.3753 52.3533 41.7355 175.4981 127 P 4.4284 0.0000 0.0000 64.5170 31.9372 177.8970 128 E 4.2647 7.9491 117.3389 57.3367 30.1658 177.0607 129 E 4.3299 7.8037 121.2654 54.9799 28.1957 177.2809 130 V 3.6956 7.6711 116.1452 64.0772 32.0700 177.9136 131 K 4.0672 7.9548 117.9213 59.2866 31.7606 179.2323 132 I 3.8512 7.6110 120.1357 64.2922 36.9488 178.3171 133 A 4.1019 8.0005 121.1804 55.1650 18.3792 179.0508 134 E 3.9588 8.5426 117.7196 59.5208 29.8506 178.9727 135 A 4.1526 8.4362 120.8537 55.2619 18.4518 179.0484 136 Y 4.0320 8.2196 118.2813 60.8291 38.9243 177.6324 137 Q 3.9967 8.6700 120.9663 59.2845 29.0392 178.0082 138 M 4.0468 8.0856 119.3416 58.4938 32.2366 178.1561 139 L 3.9086 7.7364 118.8261 57.7185 41.8844 179.4755 140 K 3.9340 7.9041 119.5346 59.1773 31.8399 178.7641 141 K 3.9283 8.0510 119.6929 59.4160 32.2648 178.0886 142 Q 4.2739 8.1139 115.4492 55.9772 28.9585 176.9252 143 G 3.9327 7.6629 108.3157 45.4960 0.0000 174.8491 144 I 3.7399 7.7622 121.6400 63.8674 37.2304 176.9882 145 V 3.7118 7.3556 120.1446 62.2883 31.6824 175.7142 146 K 4.1507 8.5286 125.7391 56.5819 32.1127 176.3788 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 P 0.00 4.35 0.00 2.04 2.03 0.00 3.58 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 1.91 2.10 0.00 8 E 8.23 4.54 0.00 2.00 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 2.20 2.31 0.00 9 T 9.47 4.13 4.42 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 1.21 0.00 0.00 10 L 8.37 4.04 0.00 1.73 1.84 0.59 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.19 3.98 0.00 2.07 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 2.42 2.47 0.00 12 A 8.09 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.02 3.89 0.00 2.13 2.15 0.00 3.12 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 14 I 8.20 3.39 1.86 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 1.22 0.97 1.01 0.00 0.00 15 N 8.02 4.32 0.00 2.90 2.84 0.00 0.00 7.07 7.11 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 16 R 8.04 4.01 0.00 2.08 1.94 0.00 3.12 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 17 A 8.12 3.94 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 18 T 7.36 4.06 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 0.99 0.00 0.00 19 N 7.57 4.22 0.00 2.91 2.90 0.00 0.00 7.22 7.59 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 20 P 0.00 4.56 0.00 2.14 2.17 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 21 L 8.32 4.31 0.00 1.79 1.77 0.94 1.31 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 22 N 7.86 4.46 0.00 3.11 3.19 0.00 0.00 7.02 7.75 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 23 K 8.81 4.18 0.00 1.78 1.87 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.39 7.81 24 E 7.86 4.82 0.00 2.12 1.93 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 2.24 2.41 0.00 25 L 8.68 3.73 0.00 1.40 0.83 0.90 0.74 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 26 D 8.13 4.60 0.00 2.64 2.43 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 0.00 27 W 8.29 4.17 0.00 3.49 3.25 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 28 A 8.24 4.09 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 29 S 8.22 4.12 0.00 3.87 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 30 I 7.82 3.64 1.96 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.22 0.97 0.00 0.00 31 N 8.77 4.56 0.00 2.93 2.94 0.00 0.00 7.00 8.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.28 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 33 F 8.52 3.98 0.00 3.12 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 34 C 7.85 4.04 0.00 3.06 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 35 E 8.32 3.95 0.00 1.96 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 0.00 2.26 2.45 0.00 36 Q 8.47 3.89 0.00 2.13 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 37 L 7.63 3.81 0.00 1.58 1.30 0.62 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 38 N 7.47 4.59 0.00 2.72 2.84 0.00 0.00 6.94 8.66 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 39 E 7.93 4.11 0.00 2.04 1.93 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 2.29 2.24 0.00 40 D 7.56 5.08 0.00 2.82 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.84 4.26 0.00 2.91 3.10 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 42 E 8.31 4.07 0.00 2.18 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 2.31 2.29 0.00 43 G 7.40 3.71 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 0.00 0.00 0.00 44 P 0.00 4.36 0.00 2.07 2.19 0.00 3.58 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.21 0.00 45 P 0.00 4.19 0.00 2.06 2.01 0.00 3.46 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.94 0.00 46 L 7.77 3.93 0.00 1.72 1.81 0.94 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.40 4.23 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 48 T 7.84 3.86 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 49 R 7.97 3.98 0.00 2.21 2.03 0.00 3.11 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 50 L 8.19 4.08 0.00 1.88 1.77 1.07 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.58 3.98 0.00 2.02 1.93 1.17 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.49 4.10 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 53 H 7.81 4.07 0.00 3.15 3.51 0.00 5.77 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.01 4.03 0.00 1.77 1.75 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.67 1.52 7.81 55 I 7.94 3.80 2.09 0.00 0.00 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 1.58 0.63 0.93 0.00 0.00 56 Q 7.39 4.39 0.00 1.93 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 57 S 7.32 4.15 0.00 3.89 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 58 P 0.00 4.30 0.00 2.08 2.10 0.00 3.70 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 59 Q 8.03 4.39 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 60 E 8.78 3.94 0.00 2.08 2.04 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 2.46 2.43 0.00 61 W 8.26 4.49 0.00 3.30 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 62 E 8.41 3.87 0.00 2.01 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 2.28 2.26 0.00 63 A 7.88 4.10 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.07 3.67 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.99 1.08 0.00 0.00 65 Q 7.47 3.55 0.00 1.58 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.27 1.16 0.00 66 A 7.72 3.81 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 67 L 8.06 4.24 0.00 1.89 1.79 0.95 0.72 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 68 T 7.99 3.93 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 1.07 0.00 0.00 69 V 7.96 3.51 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 0.76 0.00 0.00 0.71 0.00 0.00 70 L 8.41 4.13 0.00 1.96 2.04 1.04 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.80 4.28 0.00 2.28 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 2.49 2.54 0.00 72 T 8.06 4.02 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 73 C 8.58 4.41 0.00 2.74 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 74 M 8.27 4.16 0.00 1.91 2.50 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.82 0.00 75 K 7.94 4.29 0.00 2.05 1.95 0.00 1.95 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.73 7.81 76 S 7.32 4.43 0.00 3.99 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 77 C 8.50 4.42 0.00 3.09 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 7.51 3.58 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 0.00 0.00 0.00 79 K 8.83 3.89 0.00 1.82 1.80 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.63 1.52 7.81 80 R 7.99 3.86 0.00 1.87 1.92 0.00 3.15 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 81 F 8.04 4.03 0.00 2.97 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.76 3.88 0.00 3.24 3.30 0.00 5.69 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 83 D 8.11 4.40 0.00 2.70 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 84 E 7.86 3.93 0.00 1.76 1.73 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 2.34 2.29 0.00 85 V 7.06 3.33 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 0.23 0.00 0.00 -0.50 0.00 0.00 86 G 7.26 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 87 K 6.87 4.39 0.00 1.90 1.62 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.23 1.49 7.81 88 F 7.95 4.60 0.00 3.10 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 89 R 8.13 3.99 0.00 1.84 2.02 0.00 3.24 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 90 F 8.02 4.46 0.00 3.13 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 91 L 8.36 3.95 0.00 2.02 1.91 1.17 0.69 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 92 N 8.71 4.31 0.00 2.86 2.78 0.00 0.00 6.99 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 93 E 8.21 3.98 0.00 1.69 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 2.35 2.45 0.00 94 L 7.38 4.00 0.00 1.78 1.70 1.20 0.83 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 95 I 7.86 3.74 1.96 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 1.56 0.88 0.96 0.00 0.00 96 K 7.86 3.91 0.00 1.89 1.83 0.00 1.66 0.00 0.00 1.46 0.00 0.00 2.70 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.95 1.44 7.81 97 V 7.45 3.58 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 1.04 0.00 0.00 0.95 0.00 0.00 98 V 7.42 3.98 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 0.79 0.00 0.00 1.05 0.00 0.00 99 S 7.68 4.59 0.00 4.02 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 0.00 100 P 0.00 4.30 0.00 2.14 2.04 0.00 3.60 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 101 K 7.31 3.60 0.00 0.82 0.88 0.00 1.51 0.00 0.00 1.46 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.22 1.20 7.81 102 Y 7.49 4.51 0.00 2.94 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 0.00 103 L 5.93 4.52 0.00 1.89 1.71 0.93 1.26 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 0.00 104 G 8.51 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 0.00 105 S 7.96 4.51 0.00 3.86 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 0.00 106 R 7.87 4.67 0.00 1.89 1.95 0.00 3.03 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 107 T 7.35 4.63 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 0.00 108 S 8.33 4.36 0.00 4.06 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 0.00 109 E 8.63 3.99 0.00 2.10 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 2.37 2.58 0.00 110 K 8.05 3.87 0.00 1.88 1.97 0.00 1.81 0.00 0.00 1.95 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.54 7.81 111 V 7.68 3.59 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 0.99 0.00 0.00 0.96 0.00 0.00 112 K 7.94 3.98 0.00 1.88 1.85 0.00 1.73 0.00 0.00 1.85 0.00 0.00 3.22 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.69 7.81 113 N 8.51 4.38 0.00 2.83 2.87 0.00 0.00 6.71 7.90 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 0.00 114 K 8.06 3.93 0.00 2.02 2.01 0.00 1.53 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.55 7.81 115 I 7.79 3.67 2.04 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 1.57 0.53 0.94 0.00 0.00 116 L 8.03 4.09 0.00 1.74 1.83 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.49 3.96 0.00 2.24 1.97 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 2.32 2.52 0.00 118 L 7.80 3.36 0.00 1.33 0.33 1.08 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.47 3.70 0.00 1.92 1.88 1.08 1.35 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 0.00 120 Y 7.80 3.26 0.00 2.77 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 0.00 121 S 7.72 3.93 0.00 4.03 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 0.00 122 W 7.67 4.52 0.00 3.55 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.55 4.02 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 1.08 0.00 0.00 124 V 6.99 3.74 1.92 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 0.74 0.00 0.00 0.27 0.00 0.00 125 G 8.41 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 0.00 126 L 8.18 4.81 0.00 1.68 1.47 0.54 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 127 P 0.00 4.43 0.00 2.16 2.15 0.00 3.78 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 128 E 7.95 4.26 0.00 1.95 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 2.27 2.31 0.00 129 E 7.80 4.33 0.00 2.06 1.81 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 2.20 2.27 0.00 130 V 7.67 3.70 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 0.90 0.00 0.00 0.93 0.00 0.00 131 K 7.95 4.07 0.00 1.60 0.89 0.00 1.46 0.00 0.00 0.82 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.15 1.32 7.81 132 I 7.61 3.85 2.08 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 1.55 0.58 1.19 0.00 0.00 133 A 8.00 4.10 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 0.00 134 E 8.54 3.96 0.00 2.19 2.34 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 2.41 2.42 0.00 135 A 8.44 4.15 1.65 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 0.00 0.00 136 Y 8.22 4.03 0.00 3.29 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 0.00 137 Q 8.67 4.00 0.00 2.29 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 138 M 8.09 4.05 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 139 L 7.74 3.91 0.00 1.71 1.58 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 140 K 7.90 3.93 0.00 1.68 1.81 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.30 7.81 141 K 8.05 3.93 0.00 1.96 1.91 0.00 1.85 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.62 7.81 142 Q 8.11 4.27 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.56 0.00 0.00 0.00 0.00 0.00 2.36 2.63 0.00 143 G 7.66 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 0.00 144 I 7.76 3.74 1.94 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 1.16 0.54 0.89 0.00 0.00 145 V 7.36 3.71 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 0.67 0.00 0.00 0.36 0.00 0.00 146 K 8.53 4.15 0.00 1.74 1.66 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.38 1.41 7.81