NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4409 8.3049 120.3527 54.9242 33.4194 174.4614 1 Q 4.4180 7.8643 114.1634 52.9140 32.7973 173.4756 2 D 4.2508 9.2096 118.7855 57.0411 41.9580 175.8611 3 P 4.1365 0.0000 0.0000 65.6541 31.2754 178.0712 4 Y 4.2051 7.1744 115.3340 61.0287 37.6821 178.8436 5 V 3.6286 7.8258 118.7250 65.7686 31.7843 177.6854 6 K 3.8796 8.2570 119.5969 59.8247 32.0540 178.6404 7 E 4.0144 8.5738 118.7744 59.1277 29.3438 179.1586 8 A 4.0513 8.2257 121.0392 55.2363 18.4660 179.5516 9 E 3.9745 8.5111 117.3494 59.5014 29.4547 179.0128 10 N 4.3692 8.2179 117.1503 56.7910 38.9427 176.9555 11 L 4.2213 8.1445 120.4260 57.5492 41.6041 179.2832 12 K 4.0174 8.1768 119.7467 59.4490 32.0978 179.0408 13 K 3.9894 8.2291 118.6535 59.6997 31.8295 178.5496 14 Y 4.1130 8.0949 118.4531 60.7801 38.8060 177.5669 15 F 4.0956 8.5648 115.1495 56.5173 39.8148 174.7347 16 N 4.1046 8.0997 116.2666 54.9363 37.5333 173.7599 17 A 4.7790 8.4066 114.7834 52.2690 19.8183 178.1907 18 G 4.0639 8.0336 105.5506 47.1143 0.0000 173.8679 19 H 4.7768 7.8478 117.3650 54.1596 30.2303 176.5981 20 S 4.1190 8.7667 117.6683 61.1835 63.0499 175.6598 21 D 4.7501 8.0792 119.4269 54.3427 39.8451 178.5354 22 V 3.6173 7.9106 120.1614 64.6274 31.4758 177.3898 23 A 4.0999 7.4479 120.8337 53.7528 18.3296 177.3919 24 D 4.3970 7.4692 115.1933 55.1532 41.8730 175.7617 25 N 4.0673 8.7301 116.7528 56.3947 36.2287 175.6821 26 G 3.7439 7.5252 112.3564 46.7415 0.0000 171.5656 27 T 4.6344 7.9987 113.9663 59.6376 72.1035 174.3748 28 L 3.8460 8.1926 121.2734 57.0933 42.0655 178.7761 29 F 4.9844 7.3177 115.1616 57.9022 40.5959 177.6537 30 L 4.1244 8.1183 117.9346 57.9122 41.6937 179.2684 31 G 3.7378 7.9954 105.2380 47.8238 0.0000 175.7334 32 I 3.8289 7.7526 121.9552 64.2545 36.8069 178.4676 33 L 4.1891 8.2568 119.6097 57.4657 41.1300 179.4045 34 K 3.7411 7.6075 118.7714 59.0999 32.2105 178.3016 35 N 4.2182 7.7529 115.6467 53.3460 38.3341 174.8517 36 W 4.7851 7.0248 119.5057 54.9319 31.0939 175.1057 37 K 4.4287 8.6501 122.5986 56.9056 33.4072 177.4240 38 E 4.1036 8.1350 120.1526 55.6417 31.1098 176.3778 39 E 3.9229 8.9757 126.8713 59.8581 29.7539 179.3631 40 S 4.1109 8.2901 114.2151 61.8320 63.0411 176.3113 41 D 4.2583 7.8027 121.1802 57.2724 40.4960 179.0766 42 R 4.0105 8.3330 118.7868 59.3070 30.0287 179.2216 43 K 4.0960 8.2515 118.2696 59.4870 31.6152 179.3570 44 I 3.6953 7.6303 119.7239 64.7155 37.0186 178.4699 45 M 3.8951 7.8207 118.8004 58.5263 31.8334 178.8358 46 Q 3.7908 8.6820 118.5070 58.7948 28.8082 178.7939 47 S 4.1599 8.4429 114.4943 61.7742 62.5390 176.4338 48 Q 4.1579 7.5731 121.5660 58.3196 28.4152 178.7680 49 I 3.2810 7.4744 121.0898 64.0092 37.0267 178.6014 50 V 3.2900 8.0352 119.8758 65.8092 30.9522 178.2973 51 S 4.2719 8.2219 114.0721 61.1544 62.7575 176.2769 52 F 4.0119 7.9601 124.1800 61.4499 39.1030 176.7411 53 Y 3.7194 7.9430 116.2617 60.9564 37.5845 178.6233 54 F 4.6298 8.4939 118.8650 60.5899 39.1639 177.6721 55 K 4.0043 8.2129 119.3739 59.2170 31.7544 178.6553 56 L 3.8992 7.4505 119.7425 58.2804 42.2966 178.6891 57 F 4.8725 8.3155 118.1382 60.6256 38.6630 177.5275 58 K 4.0889 8.5172 119.3792 59.5271 31.7979 177.8653 59 N 4.8054 8.0173 113.2672 54.1687 38.3865 175.1935 60 F 4.8765 8.5296 119.7545 57.0815 40.6077 176.2514 61 K 4.4849 8.0659 118.5436 58.2992 32.4818 177.1870 62 D 4.4823 7.7102 119.7750 56.4146 41.2829 175.9982 63 D 4.4522 8.0314 119.5927 54.6973 40.6622 176.9639 64 Q 3.8651 8.7136 125.2721 58.7325 28.5909 178.4852 65 S 4.1223 8.0961 114.3236 60.7097 62.9780 175.5339 66 I 4.1105 6.7563 113.4978 60.4484 37.6828 176.9773 67 Q 3.8541 7.7194 123.1065 59.4810 28.8255 178.1907 68 K 3.8823 7.8826 120.1126 59.3622 32.2984 178.8316 69 S 4.1411 7.8663 114.9955 61.5775 62.8009 176.5843 70 V 3.0199 7.6732 120.8106 65.9721 31.2026 177.8517 71 E 3.9080 8.2918 118.4886 59.6971 29.2256 179.6090 72 T 3.9533 7.9456 115.7648 66.5533 68.5078 176.9165 73 I 3.7327 7.8082 121.6933 64.4571 37.0931 178.5643 74 K 4.1588 8.3207 119.6969 59.5959 31.8366 179.0043 75 E 3.9850 8.2964 119.5942 59.3106 29.4986 178.3440 76 D 3.9726 8.1248 118.1666 57.4372 41.0092 178.2223 77 M 4.0382 8.0829 119.3682 58.2641 31.9709 178.4043 78 N 4.7914 8.5984 117.0705 56.3572 38.8533 177.6914 79 V 3.6537 7.8803 120.8450 65.5458 31.5206 178.3494 80 K 3.9657 8.0164 116.9564 59.0727 32.0825 178.6642 81 F 4.3078 8.1805 119.6092 60.0548 39.8543 176.7837 82 F 4.5291 7.8084 114.4243 56.0946 39.0194 175.3327 83 N 4.7171 8.6939 114.8386 53.6161 37.2585 174.1869 84 S 3.7455 8.6524 108.6611 58.9872 61.3263 170.9322 85 N 4.7477 8.1123 120.3182 52.2856 39.0071 175.2795 86 K 3.8763 8.5452 130.1730 59.4135 32.2738 178.3537 87 K 3.9196 8.0637 119.5722 59.1559 32.2249 178.5861 88 K 3.9340 8.7142 120.4352 59.5327 32.0631 178.8366 89 R 2.7072 7.7141 118.9683 59.0282 29.8378 178.2516 90 D 4.3068 8.1849 118.8675 57.3688 40.7755 178.4594 91 D 4.3295 8.3301 119.5939 57.2071 40.8413 178.4032 92 F 4.1473 8.2676 121.0827 61.7037 39.2252 177.1096 93 E 4.1823 8.4453 118.1292 58.5208 29.4317 179.0975 94 K 3.8406 8.0483 119.8613 59.3068 32.1422 178.7179 95 L 3.5021 7.6745 119.4640 57.9830 41.0798 179.7811 96 T 3.8067 7.5704 108.9820 64.0478 68.3959 175.3348 97 N 4.6237 7.2660 117.0405 53.7645 39.2740 175.1400 98 Y 4.4209 7.1851 117.1714 58.1804 38.2572 175.4903 99 S 4.6297 8.6446 118.8259 57.1036 63.3907 175.1792 100 V 3.8834 8.4427 121.0853 63.4815 31.6539 176.9606 101 T 4.1766 7.3883 108.9179 62.2591 69.5140 174.9593 102 D 4.4155 7.6850 122.0160 53.7839 41.9211 175.7814 103 L 3.8981 8.6911 129.4351 58.6872 42.0668 178.6659 104 N 4.3398 8.6486 116.4039 56.1869 38.4088 177.5818 105 V 3.4800 7.9867 119.1781 65.9733 31.5727 177.7278 106 Q 3.9635 8.2495 117.9484 59.2387 28.5171 179.3376 107 R 3.9075 7.7974 118.3009 59.2206 30.0856 179.3592 108 K 3.9255 8.0046 117.9085 59.1652 31.7786 179.3043 109 A 3.9216 7.9684 120.4011 55.3405 18.5341 179.4383 110 I 3.7754 7.9449 118.5303 64.7961 36.9119 178.2201 111 H 4.0797 8.3369 118.4662 58.8175 30.0295 176.2744 112 E 4.3606 8.2813 118.2912 56.2188 29.4752 177.7150 113 L 3.9300 7.4782 122.3465 58.5913 42.1295 179.0139 114 I 3.6806 7.6905 118.8965 64.4183 36.8288 178.1071 115 Q 3.9836 7.9441 119.1851 58.8815 29.2850 177.8550 116 V 3.7328 7.9340 119.4081 66.3332 31.4981 177.8320 117 M 4.0430 8.3483 118.4903 58.5288 31.5294 178.7032 118 A 4.0151 8.1068 120.6352 54.9185 18.2792 179.3094 119 E 4.0152 7.9823 116.2540 58.9178 29.6780 178.9019 120 L 4.2911 7.4920 119.1143 56.0663 42.9630 177.3930 121 S 4.5935 7.1782 112.3816 54.5416 62.7638 170.3712 122 P 4.0717 0.0000 0.0000 63.7640 32.2038 176.5470 123 A 3.8846 8.9358 126.4377 55.5715 18.3225 179.0994 124 A 4.2066 7.9268 116.0058 53.9275 18.5966 178.1523 125 K 4.2583 7.6042 114.0870 56.6368 32.5161 176.8648 126 T 4.1593 7.8077 110.1363 60.6467 68.0407 176.3089 127 G 3.9974 8.6247 119.4496 45.0732 0.0000 172.3752 128 K 4.1112 9.4235 120.6450 56.2734 32.2099 177.3703 129 R 4.4068 8.5964 122.9440 56.8632 31.4399 176.5300 130 K 4.7282 7.5092 114.1864 54.0515 36.2285 175.9952 131 R 4.0759 8.3578 119.8157 56.2237 30.6421 177.3362 132 S 4.3026 8.5858 117.0044 58.9532 62.8132 174.1538 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 0 M 8.30 4.44 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 1 Q 7.86 4.42 0.00 2.08 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.54 0.00 2 D 9.21 4.25 0.00 2.78 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 3 P 0.00 4.14 0.00 1.72 1.88 0.00 3.39 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 1.91 2.06 0.00 4 Y 7.17 4.21 0.00 3.06 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 5 V 7.83 3.63 2.28 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 1.13 0.00 0.00 0.98 0.00 0.00 6 K 8.26 3.88 0.00 1.91 1.97 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.49 7.81 7 E 8.57 4.01 0.00 2.03 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 2.46 2.43 0.00 8 A 8.23 4.05 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 9 E 8.51 3.97 0.00 2.25 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 2.36 2.48 0.00 10 N 8.22 4.37 0.00 2.82 3.00 0.00 0.00 7.22 6.29 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 11 L 8.14 4.22 0.00 2.04 1.87 0.93 0.86 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 12 K 8.18 4.02 0.00 1.90 2.03 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.53 7.81 13 K 8.23 3.99 0.00 2.13 1.91 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.64 7.81 14 Y 8.09 4.11 0.00 3.03 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 15 F 8.56 4.10 0.00 3.23 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 16 N 8.10 4.10 0.00 2.79 2.86 0.00 0.00 6.94 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.41 4.78 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 18 G 8.03 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 H 7.85 4.78 0.00 3.32 3.26 0.00 5.64 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.77 4.12 0.00 4.01 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.08 4.75 0.00 2.99 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 22 V 7.91 3.62 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 0.72 0.00 0.00 0.95 0.00 0.00 23 A 7.45 4.10 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 24 D 7.47 4.40 0.00 2.75 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 25 N 8.73 4.07 0.00 2.80 2.81 0.00 0.00 7.16 7.65 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 26 G 7.53 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 27 T 8.00 4.63 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 1.18 0.00 0.00 28 L 8.19 3.85 0.00 0.51 0.13 0.23 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 29 F 7.32 4.98 0.00 3.04 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 30 L 8.12 4.12 0.00 1.59 1.75 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.00 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 32 I 7.75 3.83 2.01 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 1.76 1.08 1.14 0.00 0.00 33 L 8.26 4.19 0.00 1.74 1.77 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.61 3.74 0.00 1.80 1.99 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.43 7.81 35 N 7.75 4.22 0.00 2.08 1.65 0.00 0.00 6.80 7.55 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 36 W 7.02 4.79 0.00 3.17 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.65 4.43 0.00 1.75 1.86 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.32 7.81 38 E 8.14 4.10 0.00 2.09 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 2.41 2.35 0.00 39 E 8.98 3.92 0.00 2.12 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 0.00 2.38 2.48 0.00 40 S 8.29 4.11 0.00 4.32 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 41 D 7.80 4.26 0.00 2.79 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.33 4.01 0.00 2.07 2.03 0.00 3.30 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.98 0.00 43 K 8.25 4.10 0.00 1.91 1.87 0.00 1.52 0.00 0.00 1.89 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.66 1.58 7.81 44 I 7.63 3.70 1.93 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.01 0.80 0.00 0.00 45 M 7.82 3.90 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.69 0.00 46 Q 8.68 3.79 0.00 2.17 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.54 0.00 47 S 8.44 4.16 0.00 4.25 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 48 Q 7.57 4.16 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.53 2.39 0.00 49 I 7.47 3.28 1.59 0.00 0.00 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 0.42 0.70 0.06 0.00 0.00 50 V 8.04 3.29 1.27 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 -0.04 0.00 0.00 -0.39 0.00 0.00 51 S 8.22 4.27 0.00 4.13 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 0.00 52 F 7.96 4.01 0.00 3.21 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.94 3.72 0.00 3.05 2.55 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 54 F 8.49 4.63 0.00 3.18 3.19 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 0.00 55 K 8.21 4.00 0.00 1.89 1.76 0.00 1.62 0.00 0.00 1.50 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.43 7.81 56 L 7.45 3.90 0.00 1.07 1.40 0.94 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.32 4.87 0.00 3.32 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 58 K 8.52 4.09 0.00 2.10 2.08 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.54 7.81 59 N 8.02 4.81 0.00 3.22 2.84 0.00 0.00 6.81 6.74 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 60 F 8.53 4.88 0.00 3.30 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.07 4.48 0.00 1.87 1.99 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.68 1.43 7.81 62 D 7.71 4.48 0.00 2.68 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 63 D 8.03 4.45 0.00 2.81 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 64 Q 8.71 3.87 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.58 0.00 65 S 8.10 4.12 0.00 3.94 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 66 I 6.76 4.11 1.64 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.57 -0.21 0.00 0.00 67 Q 7.72 3.85 0.00 2.30 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.67 0.00 68 K 7.88 3.88 0.00 1.81 1.73 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.48 7.81 69 S 7.87 4.14 0.00 4.00 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 70 V 7.67 3.02 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 0.62 0.00 0.00 0.71 0.00 0.00 71 E 8.29 3.91 0.00 2.17 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 2.28 2.33 0.00 72 T 7.95 3.95 4.40 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 1.23 0.00 0.00 73 I 7.81 3.73 1.80 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.79 0.99 0.00 0.00 74 K 8.32 4.16 0.00 1.86 1.82 0.00 1.61 0.00 0.00 1.44 0.00 0.00 2.61 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.55 1.51 7.81 75 E 8.30 3.98 0.00 2.25 2.28 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 2.41 2.53 0.00 76 D 8.12 3.97 0.00 1.60 2.46 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 77 M 8.08 4.04 0.00 2.21 2.49 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.45 0.00 78 N 8.60 4.79 0.00 3.00 3.00 0.00 0.00 6.64 8.54 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 79 V 7.88 3.65 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 1.04 0.00 0.00 80 K 8.02 3.97 0.00 1.74 1.80 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.46 7.81 81 F 8.18 4.31 0.00 2.56 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 82 F 7.81 4.53 0.00 3.34 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 83 N 8.69 4.72 0.00 2.77 2.84 0.00 0.00 7.38 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 84 S 8.65 3.75 0.00 4.07 3.96 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 85 N 8.11 4.75 0.00 2.77 2.87 0.00 0.00 6.85 5.84 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 86 K 8.55 3.88 0.00 1.84 1.78 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.66 1.47 7.81 87 K 8.06 3.92 0.00 1.90 1.97 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 1.56 7.81 88 K 8.71 3.93 0.00 1.97 1.99 0.00 1.80 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.61 1.51 7.81 89 R 7.71 2.71 0.00 1.28 1.73 0.00 3.03 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.77 0.00 90 D 8.18 4.31 0.00 2.83 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 91 D 8.33 4.33 0.00 2.94 2.77 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 0.00 0.00 0.00 92 F 8.27 4.15 0.00 3.45 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 93 E 8.45 4.18 0.00 2.12 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 2.74 2.65 0.00 94 K 8.05 3.84 0.00 1.89 1.78 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.06 1.37 7.81 95 L 7.67 3.50 0.00 1.63 1.58 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 96 T 7.57 3.81 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 0.70 0.00 0.00 97 N 7.27 4.62 0.00 2.57 2.86 0.00 0.00 7.00 8.61 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 98 Y 7.19 4.42 0.00 2.92 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 99 S 8.64 4.63 0.00 3.89 3.77 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 0.00 0.00 0.00 100 V 8.44 3.88 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 0.80 0.00 0.00 0.95 0.00 0.00 101 T 7.39 4.18 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 0.00 102 D 7.69 4.42 0.00 2.79 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 0.00 103 L 8.69 3.90 0.00 1.74 1.66 0.92 0.66 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 0.00 104 N 8.65 4.34 0.00 2.91 2.82 0.00 0.00 6.65 8.54 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 0.00 105 V 7.99 3.48 2.29 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 1.05 0.00 0.00 0.89 0.00 0.00 106 Q 8.25 3.96 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 107 R 7.80 3.91 0.00 2.00 1.97 0.00 3.11 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 108 K 8.00 3.93 0.00 1.86 1.76 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.57 7.81 109 A 7.97 3.92 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 0.00 110 I 7.94 3.78 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.89 0.00 0.00 111 H 8.34 4.08 0.00 3.25 3.44 0.00 5.94 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.28 4.36 0.00 2.05 1.95 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 2.30 2.43 0.00 113 L 7.48 3.93 0.00 1.92 1.73 0.91 1.32 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 0.00 114 I 7.69 3.68 1.85 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 1.51 0.71 0.90 0.00 0.00 115 Q 7.94 3.98 0.00 2.05 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.05 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 116 V 7.93 3.73 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 0.98 0.00 0.00 1.00 0.00 0.00 117 M 8.35 4.04 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.56 0.00 118 A 8.11 4.02 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 0.00 119 E 7.98 4.02 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 120 L 7.49 4.29 0.00 1.69 1.72 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 121 S 7.18 4.59 0.00 3.85 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 0.00 122 P 0.00 4.07 0.00 2.19 2.07 0.00 3.61 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.24 0.00 123 A 8.94 3.88 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 0.00 124 A 7.93 4.21 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 0.00 125 K 7.60 4.26 0.00 1.91 1.86 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.40 7.81 126 T 7.81 4.16 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 1.26 0.00 0.00 127 G 8.62 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.42 4.11 0.00 1.77 1.78 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.41 7.81 129 R 8.60 4.41 0.00 1.79 1.97 0.00 3.15 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.81 0.00 130 K 7.51 4.73 0.00 1.67 1.64 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.43 7.81 131 R 8.36 4.08 0.00 1.80 1.87 0.00 3.21 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 132 S 8.59 4.30 0.00 3.86 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