NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4284 8.3049 118.1921 54.7869 32.5672 173.9799 2 L 4.0394 8.3213 118.9721 53.5564 42.2296 176.3037 3 T 4.3988 9.5866 116.1832 60.5402 72.7312 175.5546 4 E 3.9626 8.4718 120.0692 59.5358 29.3025 179.3699 5 D 4.3390 7.9880 118.5821 57.3054 40.9016 178.1430 6 D 4.3093 8.1581 119.4133 57.5279 40.8208 179.2227 7 K 3.8218 8.0548 118.7227 59.4182 31.9909 179.5575 8 Q 3.9683 8.1751 118.4139 58.9047 28.4975 178.6878 9 L 4.0532 8.1446 120.2254 57.6999 41.5396 179.7182 10 I 3.5306 7.8094 119.8659 64.4222 37.0129 178.2599 11 Q 4.0420 8.1519 120.4756 59.3882 28.6078 177.7160 12 H 4.2996 8.0667 118.4789 59.4198 29.9987 177.1725 13 V 3.8322 7.9100 120.1607 65.6102 31.3111 177.8666 14 W 4.0672 8.8277 129.0446 60.2998 30.3960 177.8113 15 E 3.9543 8.2763 116.4505 59.0430 29.2092 179.0759 16 K 3.9580 7.7845 119.5227 59.1889 32.2507 179.1347 17 V 2.1658 6.6746 118.3183 65.4675 30.9956 178.0995 18 L 3.8107 7.2271 117.5052 57.3157 41.3866 178.9975 19 E 4.1078 7.4686 117.7177 58.3083 30.4963 176.7249 20 H 5.1638 7.9766 115.2586 54.0094 29.9366 174.7383 21 Q 3.9803 8.2364 121.1922 59.3400 28.9417 178.7817 22 E 3.9970 8.1359 119.4946 59.2665 29.8778 178.2890 23 D 4.3233 8.0971 118.4111 57.4601 41.0029 178.6787 24 F 3.9013 8.5007 118.2703 60.4704 38.9489 178.0847 25 G 3.7494 8.3016 105.0431 47.8241 0.0000 175.6321 26 A 4.0806 8.1401 123.4220 54.8549 18.3937 179.3940 27 E 3.8517 8.3959 117.7010 59.1864 29.6710 178.9036 28 A 4.0018 8.1391 120.9127 55.1509 18.4346 179.6479 29 L 3.5224 7.9820 117.4798 57.8956 41.1545 179.6835 30 E 4.1787 8.3183 118.5284 59.2969 29.3326 179.5960 31 R 3.9526 8.0453 118.3826 59.2118 30.0992 178.7371 32 M 4.2088 7.9051 117.9935 58.8653 32.4333 178.2924 33 F 4.6736 8.0707 118.2980 60.6884 38.8134 177.7714 34 I 3.8722 7.8848 118.6285 64.2279 37.2103 178.2539 35 V 3.6014 7.9903 118.3192 64.4122 32.8315 175.7878 36 Y 4.8824 8.1122 116.0112 54.7055 38.0058 174.2431 37 P 4.9476 0.0000 0.0000 65.0733 31.5483 178.6443 38 S 4.2930 8.2972 113.9582 61.4212 62.9521 176.2324 39 T 4.3715 8.6207 113.7141 64.4231 68.4969 176.5706 40 K 4.0570 8.3528 121.9093 59.1991 31.7862 178.5477 41 T 4.0917 7.6800 108.1983 63.5719 68.8682 175.3562 42 Y 4.0800 8.0176 118.7401 58.8682 39.0112 175.1047 43 F 4.7009 8.2168 119.6409 55.9745 39.7650 175.2438 44 P 4.3529 0.0000 0.0000 65.7415 31.5709 177.1103 45 H 4.6059 8.4177 112.4288 56.4896 29.1610 175.0884 46 F 4.7868 7.9165 119.8841 56.3897 39.8472 174.9113 47 D 4.5036 9.3701 125.2783 54.3899 41.0846 175.8317 48 L 4.5986 8.3288 125.4720 54.7125 42.3994 176.4792 49 H 4.3025 8.6158 117.4487 55.4676 29.1904 174.4738 50 H 4.5746 8.7158 120.7434 57.5519 29.8078 174.4909 51 D 4.4052 9.1475 124.8184 55.2188 39.0546 174.8260 52 S 4.2345 7.6316 114.3665 58.4241 64.6687 174.5056 53 E 3.7540 8.6377 123.6264 59.7226 29.3435 179.3781 54 Q 3.6348 7.7088 117.4819 58.6788 28.6985 178.5643 55 I 3.9475 7.6760 120.8799 64.5287 37.1984 178.7718 56 R 3.9971 8.0598 118.8853 59.6534 29.7832 178.9138 57 H 4.3554 8.4534 116.2847 59.1318 28.6162 177.4195 58 H 4.5602 8.6675 120.3780 59.0022 29.7380 177.3997 59 G 3.7445 8.7166 108.2079 47.9019 0.0000 175.5259 60 K 4.1930 8.1725 122.1428 59.1128 32.1027 179.1038 61 K 4.0602 7.8851 119.0916 59.2883 32.0006 179.4986 62 V 3.5960 8.0184 118.6667 66.1299 31.4469 178.2756 63 V 3.9763 8.1799 118.1810 65.9801 31.3590 178.1392 64 G 3.7382 8.7052 105.7761 47.8599 0.0000 175.5522 65 A 4.2380 8.4117 123.4617 54.9227 18.3446 179.7745 66 L 4.0367 8.2909 117.7561 57.7762 41.7800 179.9308 67 G 3.6376 8.8691 106.2300 47.8849 0.0000 175.5048 68 D 4.4235 8.3134 121.0062 57.1299 40.5986 178.7234 69 A 4.0141 7.7763 120.4035 54.9923 18.4243 179.4691 70 V 3.2673 7.5250 115.9766 65.9617 31.5579 178.1114 71 K 4.0486 7.6650 116.5127 58.8806 32.5232 178.7413 72 H 4.9127 8.1797 116.4222 54.9601 29.3809 176.8816 73 I 3.7979 7.8542 123.0532 64.5216 37.2808 177.1492 74 D 4.6598 7.9253 116.9219 54.7534 41.6673 175.6240 75 N 5.0604 8.3306 118.9711 51.9140 39.5387 175.8957 76 L 3.9131 8.0248 121.1477 58.0519 42.0028 179.0200 77 S 4.0336 7.9959 112.8707 61.6440 63.1416 176.3264 78 A 4.1065 7.8501 122.6069 55.6266 18.0386 179.7283 79 T 3.8562 7.6874 112.7845 65.7723 68.7244 175.9731 80 L 4.5297 7.6876 118.8114 54.2868 41.9767 177.9258 81 S 4.0129 7.6072 115.4785 61.8291 62.2276 176.2801 82 E 3.9911 8.1097 120.3571 59.5112 29.2367 179.2810 83 L 4.0893 7.8534 118.4808 57.7610 41.3052 179.5795 84 S 3.9608 8.5337 115.6049 61.6883 62.7315 176.5274 85 N 4.1430 8.1447 119.1685 55.8317 38.1415 177.3587 86 L 3.9486 7.8148 121.8921 58.7015 42.2812 178.8728 87 H 4.1844 8.5035 115.8195 58.0531 28.2183 177.5638 88 A 4.0297 7.5309 123.8655 54.0758 18.5554 179.2065 89 Y 4.3369 7.4756 113.6515 60.9222 38.4667 176.9461 90 N 4.5928 8.3242 116.4491 55.8410 39.4712 175.7477 91 L 4.2831 8.1176 115.6562 54.5766 42.7375 176.7369 92 R 4.1717 8.0789 116.0659 55.8241 27.5750 176.8961 93 V 3.7287 8.3184 116.9310 62.3261 32.4619 174.9465 94 D 4.3607 8.9809 127.7045 53.6054 41.7209 175.1037 95 P 4.4992 0.0000 0.0000 66.0369 31.2423 178.9760 96 V 3.6734 8.0290 111.1176 64.3986 31.3262 178.2260 97 N 4.2893 8.2208 116.5312 55.8524 38.2660 177.4160 98 F 4.2991 7.5640 119.1395 60.4699 38.8381 177.7812 99 K 4.0797 8.0397 117.7748 59.1850 31.8754 179.3012 100 L 3.7091 7.5301 119.0218 57.6541 41.4520 179.3479 101 L 3.9974 8.0740 120.3459 58.0608 42.0348 178.9775 102 S 4.2163 8.2662 115.2508 61.9666 62.8419 176.1635 103 H 4.2514 8.5571 120.9281 59.7252 29.6776 177.1188 104 C 4.2010 8.4520 118.5383 62.6623 27.8124 175.8931 105 F 4.0767 8.7772 122.8722 61.3995 39.0108 177.2231 106 Q 3.8926 8.4067 117.7567 58.7952 28.3769 178.9659 107 V 3.4361 7.6313 119.3758 65.8392 31.5848 178.2227 108 V 3.3998 7.6034 117.9090 65.8923 31.2544 177.9750 109 L 3.8762 7.6702 118.9279 57.6286 41.3271 179.7276 110 G 3.2194 7.7878 105.6921 47.6096 0.0000 175.5689 111 A 3.9051 7.8317 122.4183 55.0897 18.4481 178.9841 112 H 4.2900 7.9727 113.3236 57.7633 29.3189 177.1037 113 L 4.4506 8.3794 120.2479 53.1694 42.4072 178.4791 114 G 3.7837 8.8400 107.3530 46.0030 0.0000 176.4843 115 R 3.9085 9.0369 123.4927 59.1582 29.6238 176.7989 116 E 4.2169 8.1477 115.4700 58.0882 30.0254 177.0440 117 Y 4.4016 8.0604 122.7952 56.5677 37.1884 174.4432 118 T 4.2441 7.4558 115.7071 59.9846 71.7261 173.5999 119 P 4.1689 0.0000 0.0000 65.8486 31.2588 179.0081 120 Q 3.9637 7.9336 116.3906 58.8726 28.6492 178.8275 121 V 3.5821 7.6027 119.0945 65.8829 31.5747 177.8691 122 Q 3.7887 7.8272 120.9521 58.4606 28.7935 178.2692 123 V 3.5765 8.1014 119.4138 65.9836 31.5643 177.7275 124 A 3.9529 7.8921 120.2264 55.6751 18.2785 179.3492 125 Y 4.0305 8.3682 115.1613 60.8704 37.8764 178.0651 126 D 4.4498 8.9158 119.6717 57.3470 41.4001 178.4017 127 K 3.9526 8.3786 119.2702 59.3517 32.0590 179.0776 128 F 4.1377 8.2811 120.7396 61.4949 39.3453 177.2876 129 L 3.5981 8.5424 118.7140 57.4628 41.2736 179.4045 130 A 3.9185 8.2493 120.8272 54.8800 18.3177 179.5883 131 A 3.7875 7.8720 119.4067 55.2485 18.4744 180.0422 132 V 3.2518 7.3639 116.7366 66.0530 31.2575 178.4931 133 S 3.5836 7.7357 113.7731 61.2243 62.8134 175.9505 134 A 4.0278 7.9725 123.7059 55.2844 18.0795 179.9383 135 V 3.6912 7.2634 117.3103 65.5327 31.4510 178.0622 136 L 3.9089 7.6350 117.7230 55.6077 41.5641 177.9535 137 A 4.4799 7.0982 119.8780 51.5790 19.8460 177.7623 138 E 4.0261 7.7713 115.8259 58.3326 29.7715 178.8420 139 K 4.0936 7.4752 117.4366 57.8702 32.4027 177.1601 140 Y 4.6037 8.0668 117.7560 58.9827 38.4114 175.8843 141 R 4.2779 7.6428 120.5934 56.1165 29.5621 175.3845 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 4.43 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 2 L 8.32 4.04 0.00 1.71 1.61 0.95 0.49 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 3 T 9.59 4.40 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 1.19 0.00 0.00 4 E 8.47 3.96 0.00 1.97 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 2.37 2.32 0.00 5 D 7.99 4.34 0.00 2.66 2.69 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 6 D 8.16 4.31 0.00 2.92 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.05 3.82 0.00 1.89 1.75 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.61 7.81 8 Q 8.18 3.97 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 9 L 8.14 4.05 0.00 1.81 1.75 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.81 3.53 1.66 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.43 0.14 0.00 0.00 11 Q 8.15 4.04 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 12 H 8.07 4.30 0.00 3.31 3.54 0.00 6.00 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.91 3.83 2.69 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 0.94 0.00 0.00 1.17 0.00 0.00 14 W 8.83 4.07 0.00 3.65 3.36 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 15 E 8.28 3.95 0.00 2.14 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 0.00 2.58 2.29 0.00 16 K 7.78 3.96 0.00 1.91 1.78 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.40 7.81 17 V 6.67 2.17 0.67 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 -0.14 0.00 0.00 0.14 0.00 0.00 18 L 7.23 3.81 0.00 1.59 1.63 1.09 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.47 4.11 0.00 1.88 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 2.27 2.45 0.00 20 H 7.98 5.16 0.00 3.52 3.42 0.00 5.66 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 8.24 3.98 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 22 E 8.14 4.00 0.00 2.08 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 2.41 2.61 0.00 23 D 8.10 4.32 0.00 2.85 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 24 F 8.50 3.90 0.00 3.16 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 25 G 8.30 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 26 A 8.14 4.08 1.44 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 27 E 8.40 3.85 0.00 2.05 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 0.00 2.22 2.26 0.00 28 A 8.14 4.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.98 3.52 0.00 1.78 1.28 1.02 0.60 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 30 E 8.32 4.18 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 2.51 2.60 0.00 31 R 8.05 3.95 0.00 1.99 1.97 0.00 3.07 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 32 M 7.91 4.21 0.00 1.87 1.99 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 2.68 2.65 0.00 33 F 8.07 4.67 0.00 3.09 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 34 I 7.88 3.87 1.95 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 1.44 0.65 0.89 0.00 0.00 35 V 7.99 3.60 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 -0.03 0.00 0.00 0.80 0.00 0.00 36 Y 8.11 4.88 0.00 3.15 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.95 0.00 2.31 2.38 0.00 3.93 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.92 0.00 38 S 8.30 4.29 0.00 4.15 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 0.00 39 T 8.62 4.37 4.52 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 1.38 0.00 0.00 40 K 8.35 4.06 0.00 2.00 1.81 0.00 1.54 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.22 1.69 7.81 41 T 7.68 4.09 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 1.23 0.00 0.00 42 Y 8.02 4.08 0.00 3.09 2.54 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 43 F 8.22 4.70 0.00 2.70 2.48 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 0.00 0.00 0.00 0.00 44 P 0.00 4.35 0.00 2.20 2.19 0.00 3.87 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 45 H 8.42 4.61 0.00 3.45 3.51 0.00 5.52 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 7.92 4.79 0.00 3.07 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 47 D 9.37 4.50 0.00 2.59 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 48 L 8.33 4.60 0.00 1.52 1.44 0.52 0.74 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 49 H 8.62 4.30 0.00 3.31 3.25 0.00 5.84 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.72 4.57 0.00 3.07 3.29 0.00 5.88 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 51 D 9.15 4.41 0.00 2.62 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 52 S 7.63 4.23 0.00 4.04 4.17 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 53 E 8.64 3.75 0.00 1.94 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 1.96 2.11 0.00 54 Q 7.71 3.63 0.00 1.64 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 1.95 2.16 0.00 55 I 7.68 3.95 2.05 0.00 0.00 1.00 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 0.80 1.02 0.00 0.00 56 R 8.06 4.00 0.00 1.84 2.19 0.00 3.36 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 57 H 8.45 4.36 0.00 3.20 3.37 0.00 5.61 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.67 4.56 0.00 3.76 3.82 0.00 5.79 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 59 G 8.72 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.17 4.19 0.00 1.93 2.05 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.68 7.81 61 K 7.89 4.06 0.00 2.04 1.94 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.72 7.81 62 V 8.02 3.60 2.27 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 1.03 0.00 0.00 0.93 0.00 0.00 63 V 8.18 3.98 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 1.04 0.00 0.00 1.24 0.00 0.00 64 G 8.71 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.41 4.24 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 66 L 8.29 4.04 0.00 2.12 1.58 0.51 0.39 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 67 G 8.87 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.31 4.42 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 69 A 7.78 4.01 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 70 V 7.52 3.27 1.74 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 0.44 0.00 0.00 -0.38 0.00 0.00 71 K 7.67 4.05 0.00 2.02 1.74 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.67 7.81 72 H 8.18 4.91 0.00 3.18 3.26 0.00 5.83 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 73 I 7.85 3.80 1.81 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.60 0.89 0.00 0.00 74 D 7.93 4.66 0.00 2.64 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 75 N 8.33 5.06 0.00 2.70 2.67 0.00 0.00 7.15 6.21 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 76 L 8.02 3.91 0.00 1.66 1.60 0.83 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.00 4.03 0.00 3.79 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 78 A 7.85 4.11 1.29 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 0.00 0.00 79 T 7.69 3.86 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 1.06 0.00 0.00 80 L 7.69 4.53 0.00 1.63 1.54 0.76 0.50 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 81 S 7.61 4.01 0.00 4.04 3.88 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 82 E 8.11 3.99 0.00 2.02 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 2.40 2.35 0.00 83 L 7.85 4.09 0.00 1.82 1.71 0.92 1.02 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 84 S 8.53 3.96 0.00 3.88 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 85 N 8.14 4.14 0.00 2.97 3.15 0.00 0.00 6.69 6.88 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 86 L 7.81 3.95 0.00 1.89 1.88 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.50 4.18 0.00 3.33 3.61 0.00 5.85 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 88 A 7.53 4.03 0.38 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 89 Y 7.48 4.34 0.00 3.17 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 90 N 8.32 4.59 0.00 2.73 3.11 0.00 0.00 6.93 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 91 L 8.12 4.28 0.00 1.84 1.73 0.70 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.08 4.17 0.00 2.00 2.06 0.00 3.31 0.00 0.00 2.26 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.64 0.00 93 V 8.32 3.73 1.96 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 -0.25 0.00 0.00 0.75 0.00 0.00 94 D 8.98 4.36 0.00 2.77 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 95 P 0.00 4.50 0.00 2.25 2.30 0.00 3.56 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.42 0.00 96 V 8.03 3.67 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 1.00 0.00 0.00 0.99 0.00 0.00 97 N 8.22 4.29 0.00 2.41 2.56 0.00 0.00 6.91 8.17 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 98 F 7.56 4.30 0.00 3.19 2.95 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 99 K 8.04 4.08 0.00 1.96 1.84 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.57 7.81 100 L 7.53 3.71 0.00 1.63 1.25 0.58 0.04 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 0.00 101 L 8.07 4.00 0.00 1.75 1.70 0.94 0.89 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 0.00 102 S 8.27 4.22 0.00 4.17 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 0.00 103 H 8.56 4.25 0.00 3.27 3.58 0.00 5.59 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 0.00 104 C 8.45 4.20 0.00 3.23 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 0.00 105 F 8.78 4.08 0.00 3.31 3.32 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 0.00 106 Q 8.41 3.89 0.00 2.39 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.67 2.81 0.00 107 V 7.63 3.44 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 1.00 0.00 0.00 0.82 0.00 0.00 108 V 7.60 3.40 1.85 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 0.64 0.00 0.00 0.87 0.00 0.00 109 L 7.67 3.88 0.00 1.15 1.14 0.43 0.71 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 0.00 110 G 7.79 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 0.00 0.00 0.00 111 A 7.83 3.91 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 0.00 112 H 7.97 4.29 0.00 3.19 3.43 0.00 5.84 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.38 4.45 0.00 1.83 1.82 1.16 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.84 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 0.00 0.00 0.00 115 R 9.04 3.91 0.00 1.80 2.03 0.00 3.26 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 116 E 8.15 4.22 0.00 2.25 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 2.39 2.29 0.00 117 Y 8.06 4.40 0.00 3.02 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 0.00 118 T 7.46 4.24 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 1.27 0.00 0.00 119 P 0.00 4.17 0.00 2.16 2.14 0.00 3.58 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 2.11 2.18 0.00 120 Q 7.93 3.96 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 121 V 7.60 3.58 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 1.03 0.00 0.00 0.95 0.00 0.00 122 Q 7.83 3.79 0.00 1.77 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.45 2.64 0.00 123 V 8.10 3.58 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 1.05 0.00 0.00 0.96 0.00 0.00 124 A 7.89 3.95 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 0.00 125 Y 8.37 4.03 0.00 3.40 3.36 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 0.00 126 D 8.92 4.45 0.00 2.94 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 0.00 127 K 8.38 3.95 0.00 2.00 1.85 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.57 7.81 128 F 8.28 4.14 0.00 2.89 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 0.00 129 L 8.54 3.60 0.00 1.80 1.69 1.26 0.66 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 0.00 130 A 8.25 3.92 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 0.00 131 A 7.87 3.79 1.28 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 0.00 0.00 132 V 7.36 3.25 1.71 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 0.70 0.00 0.00 0.09 0.00 0.00 133 S 7.74 3.58 0.00 3.91 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 0.00 134 A 7.97 4.03 1.30 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 0.00 0.00 135 V 7.26 3.69 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 1.14 0.00 0.00 0.88 0.00 0.00 136 L 7.63 3.91 0.00 0.64 0.96 0.51 0.42 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 0.00 137 A 7.10 4.48 1.44 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 0.00 138 E 7.77 4.03 0.00 2.12 2.27 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 0.00 2.39 2.17 0.00 139 K 7.48 4.09 0.00 1.03 1.20 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.13 1.04 7.81 140 Y 8.07 4.60 0.00 3.11 2.90 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 0.00 141 R 7.64 4.28 0.00 1.94 1.90 0.00 3.10 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00