NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 M 4.4875 8.2893 120.3263 55.4713 33.3308 175.0873 9 S 4.4481 8.5422 117.6935 58.0415 64.0573 172.1973 10 N 4.9138 7.6665 119.5639 52.2823 41.9597 174.0644 11 T 4.8290 7.9797 107.0119 59.4368 73.0532 174.4849 12 T 3.8415 8.5309 118.6092 66.7074 68.8023 176.2079 13 W 4.3099 8.1878 129.7353 60.5089 30.7795 178.1182 14 G 3.7924 8.4332 107.0302 47.2062 0.0000 175.4885 15 L 4.1674 8.1489 119.9916 56.5692 41.7237 178.3473 16 Q 4.2756 7.2249 115.9278 54.9448 29.2472 176.0028 17 R 3.8611 6.7762 119.0466 56.3824 30.8483 175.8154 18 D 4.6453 8.1144 117.9887 55.8221 42.7613 177.8739 19 I 3.6976 7.0932 117.9437 61.6509 37.5842 175.5042 20 T 4.5744 7.7555 119.2027 61.1993 72.3819 172.1241 21 P 4.7409 0.0000 0.0000 62.8441 32.5624 175.4218 22 R 5.2710 8.7139 115.9570 55.0917 33.4757 173.3815 23 L 5.1585 9.7584 123.9381 53.7061 44.0075 175.2882 24 G 4.7823 9.3811 113.8094 44.8812 0.0000 171.6954 25 A 5.8231 8.8109 121.8872 51.4618 23.4055 175.4885 26 R 4.5915 8.5255 120.6828 54.6167 31.7367 175.1615 27 L 4.6949 8.7341 127.4447 53.8075 44.1135 175.9906 28 V 4.5379 8.4190 121.9743 61.8295 33.3194 174.3573 29 Q 4.7852 9.1541 130.5063 54.7829 30.1953 174.6780 30 E 4.5125 9.3164 127.5677 55.1313 31.8996 177.5210 31 G 3.8744 8.3682 116.0548 47.1158 0.0000 172.9756 32 N 4.8556 9.1236 119.0355 52.5262 39.1321 173.4520 33 Q 4.6639 8.4031 119.0572 54.1846 30.4261 174.3120 34 L 5.0122 8.8825 123.2642 53.5872 43.3122 175.6264 35 H 5.0296 9.3654 121.7009 54.3765 31.1548 173.4108 36 Y 4.9488 8.7201 123.6961 56.6580 40.2317 174.6902 37 L 4.3806 7.6557 124.9472 52.4723 44.2554 177.0838 38 A 3.7012 8.2545 128.1064 54.8527 18.5899 178.7849 39 D 4.5084 7.9746 114.5523 55.5102 39.8967 177.2619 40 R 4.9032 8.2331 119.0474 54.8336 31.6938 174.6833 41 A 5.4576 7.5491 120.3468 50.5717 21.6146 176.8573 42 S 4.6606 8.7838 113.2008 57.6708 66.9467 173.7063 43 I 5.0655 8.4213 121.3785 59.9680 39.8153 174.9893 44 T 4.2809 9.2777 124.4686 63.4799 70.2004 174.5514 45 G 4.0066 10.0694 115.1880 44.3317 0.0000 171.5472 46 K 4.5257 7.8713 119.8374 55.0135 35.3389 176.5245 47 F 4.8008 8.6562 124.6143 56.3268 40.5807 176.3948 48 S 4.4948 9.1070 119.1555 58.2478 64.7501 175.2799 49 D 4.4378 8.6749 121.9991 57.3691 40.2794 178.8002 50 A 4.1798 7.9621 120.9827 55.3043 18.5351 179.4163 51 E 3.9161 8.4132 117.1243 59.5502 29.4695 179.0857 52 C 3.9887 8.1158 117.1110 62.5655 28.1600 174.5238 53 P 4.4183 0.0000 0.0000 65.7569 30.9828 178.5226 54 K 3.9745 7.6394 118.0538 59.3029 32.0132 179.0472 55 L 3.1370 8.4443 120.9299 57.9080 41.6358 178.7533 56 D 4.2774 7.6972 118.1525 57.0641 40.7274 178.5161 57 V 3.7429 7.1734 118.3955 65.6980 31.8975 178.0972 58 V 3.7527 7.5774 111.2913 63.1422 31.4391 178.1814 59 F 4.1249 8.0639 121.3476 60.8775 39.4137 175.4053 60 P 4.1955 0.0000 0.0000 65.8856 30.9524 177.7089 61 H 3.9928 7.8165 117.9319 58.9258 29.7225 177.0331 62 F 4.2636 7.6936 119.6450 60.3793 38.6463 177.5655 63 I 3.5461 7.4688 119.7180 64.4087 36.8458 178.5390 64 S 4.2217 7.7317 114.5130 61.5846 62.7228 176.3980 65 Q 3.9086 7.9592 121.6233 58.8313 28.5461 179.1031 66 I 3.7263 8.0701 121.0280 64.3795 36.9695 178.3963 67 E 3.9549 8.5495 119.9615 59.4029 29.3650 179.3492 68 S 4.0934 8.3528 113.5147 61.5763 62.3681 176.0660 69 M 4.1787 7.9637 121.1336 57.8156 31.1841 178.5608 70 L 4.3111 7.5856 120.3388 56.9969 41.5582 179.5276 71 T 3.7652 7.4763 115.5145 66.8281 68.5685 176.8264 72 T 4.0372 7.6047 110.0142 63.2236 68.9317 175.4810 73 G 4.0406 7.8002 108.8822 45.0765 0.0000 174.2137 74 E 3.9803 7.5163 118.9697 58.4698 29.4438 177.1815 75 L 4.5943 8.2325 120.8489 52.8369 44.0738 174.2540 76 N 5.1183 8.4529 123.9325 50.9962 40.8918 173.1155 77 P 4.3575 0.0000 0.0000 64.9808 31.6330 178.0454 78 R 4.3779 7.9006 115.1015 56.6483 30.9416 175.9308 79 H 4.8123 8.0216 114.4623 53.3615 31.8421 173.0741 80 A 4.2827 8.6453 127.4539 51.9797 18.8194 177.0254 81 Q 4.4398 8.1575 119.3173 55.4015 31.6767 173.4166 82 C 4.8398 8.7165 123.7458 58.7353 32.9923 172.7731 83 V 4.6933 8.6949 117.0635 59.8763 35.8589 174.4481 84 T 4.9762 8.5116 118.7495 61.8443 70.8334 173.5305 85 L 4.9218 8.6875 125.6691 53.1164 45.7783 175.0227 86 Y 5.4924 8.2876 116.7040 57.0184 42.3451 174.9191 87 H 4.2099 9.8272 116.1749 56.6543 33.4750 174.0970 88 N 4.3054 9.9602 127.2645 54.5730 35.9845 175.2203 89 G 3.9040 8.2280 102.6321 45.5865 0.0000 172.2538 90 F 5.3507 8.1734 117.3312 55.7538 43.0047 174.3300 91 T 5.0427 9.0328 117.8965 61.9536 72.2524 172.8638 92 C 4.3245 8.1866 123.8855 57.7246 35.0223 172.3040 93 E 5.2052 9.0484 125.9015 54.9330 31.4629 175.0098 94 A 5.3345 8.8426 125.1136 50.4572 23.0550 174.3532 95 D 4.9784 8.6194 119.9189 53.5008 44.8451 176.6179 96 T 4.1311 8.7104 121.3112 63.9357 68.9315 175.5557 97 L 3.4121 9.6040 120.0774 55.1282 39.6227 174.3737 98 G 4.0796 8.2905 103.9614 46.5659 0.0000 175.5772 99 S 4.2388 8.1313 114.6882 58.7459 63.9436 173.5153 100 C 4.0859 8.0493 118.5680 59.3104 25.7640 174.2695 101 G 4.8385 6.6043 120.9672 46.5649 0.0000 170.9787 102 Y 5.4543 7.1806 117.5227 55.9756 42.0889 175.3676 103 V 4.3365 8.3856 120.6799 60.2837 34.6483 173.8514 104 Y 4.8582 8.7141 124.5897 56.6243 39.3649 174.8811 105 I 5.4989 9.1215 116.8984 59.3025 42.0162 174.1762 106 A 5.2862 9.1252 124.2902 50.5935 22.6595 175.1094 107 V 4.7018 9.2692 123.4444 61.1937 34.4340 174.1213 108 Y 5.7733 8.2148 124.8964 54.7273 42.0934 172.3661 109 P 4.4593 0.0000 0.0000 62.7581 32.2763 176.4548 110 T 4.6031 8.1541 118.2098 63.5690 67.9958 174.0417 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 8 M 8.29 4.49 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 9 S 8.54 4.45 0.00 4.08 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.67 4.91 0.00 2.76 2.79 0.00 0.00 6.73 7.22 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 11 T 7.98 4.83 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 1.37 0.00 0.00 12 T 8.53 3.84 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 1.21 0.00 0.00 13 W 8.19 4.31 0.00 3.02 2.98 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 14 G 8.43 3.79 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 0.00 0.00 0.00 15 L 8.15 4.17 0.00 1.76 1.71 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 7.22 4.28 0.00 1.85 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.93 0.00 0.00 0.00 0.00 0.00 2.27 2.61 0.00 17 R 6.78 3.86 0.00 1.64 1.66 0.00 2.38 0.00 0.00 2.74 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.59 0.00 18 D 8.11 4.65 0.00 2.48 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.09 3.70 0.80 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 0.83 0.03 0.58 0.00 0.00 20 T 7.76 4.57 4.14 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 0.00 0.00 0.00 1.14 0.00 0.00 21 P 0.00 4.74 0.00 0.72 1.75 0.00 3.64 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.50 0.00 22 R 8.71 5.27 0.00 2.12 2.18 0.00 2.82 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 23 L 9.76 5.16 0.00 1.92 1.90 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 24 G 9.38 4.78 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 25 A 8.81 5.82 1.43 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 0.00 0.00 26 R 8.53 4.59 0.00 1.71 1.63 0.00 2.24 0.00 0.00 2.97 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.50 0.00 27 L 8.73 4.69 0.00 1.57 1.69 1.23 0.70 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 28 V 8.42 4.54 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 0.90 0.00 0.00 1.07 0.00 0.00 29 Q 9.15 4.79 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.52 0.00 0.00 0.00 0.00 0.00 2.37 2.27 0.00 30 E 9.32 4.51 0.00 2.00 1.87 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 2.23 2.28 0.00 31 G 8.37 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 32 N 9.12 4.86 0.00 2.67 2.78 0.00 0.00 6.68 7.69 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 33 Q 8.40 4.66 0.00 2.10 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 34 L 8.88 5.01 0.00 1.45 1.58 0.86 0.91 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 35 H 9.37 5.03 0.00 3.06 3.23 0.00 5.60 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 8.72 4.95 0.00 3.07 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 37 L 7.66 4.38 0.00 1.57 1.66 0.96 0.79 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 38 A 8.25 3.70 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 39 D 7.97 4.51 0.00 2.80 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 40 R 8.23 4.90 0.00 1.70 1.82 0.00 3.19 0.00 0.00 3.33 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.39 0.00 41 A 7.55 5.46 1.19 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 0.00 0.00 42 S 8.78 4.66 0.00 3.91 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.42 5.07 1.96 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 1.44 1.08 1.18 0.00 0.00 44 T 9.28 4.28 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 1.18 0.00 0.00 45 G 10.07 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 0.00 0.00 0.00 46 K 7.87 4.53 0.00 1.66 1.60 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.51 7.81 47 F 8.66 4.80 0.00 3.16 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 48 S 9.11 4.49 0.00 4.11 4.08 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 49 D 8.67 4.44 0.00 2.70 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.96 4.18 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 51 E 8.41 3.92 0.00 2.45 2.36 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 2.49 2.51 0.00 52 C 8.12 3.99 0.00 3.18 2.98 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 53 P 0.00 4.42 0.00 2.25 2.30 0.00 3.85 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 2.23 2.07 0.00 54 K 7.64 3.97 0.00 2.07 2.16 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.53 1.63 7.81 55 L 8.44 3.14 0.00 1.13 1.39 0.31 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 56 D 7.70 4.28 0.00 2.79 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 57 V 7.17 3.74 2.18 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 0.80 0.00 0.00 0.94 0.00 0.00 58 V 7.58 3.75 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 0.80 0.00 0.00 0.47 0.00 0.00 59 F 8.06 4.12 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 60 P 0.00 4.20 0.00 2.26 2.31 0.00 3.72 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.02 0.00 61 H 7.82 3.99 0.00 2.97 2.97 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 7.69 4.26 0.00 3.06 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.47 3.55 1.83 0.00 0.00 0.56 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 0.59 0.83 0.00 0.00 64 S 7.73 4.22 0.00 3.98 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 7.96 3.91 0.00 2.35 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 66 I 8.07 3.73 1.97 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.07 0.86 0.00 0.00 67 E 8.55 3.95 0.00 2.05 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 2.27 2.48 0.00 68 S 8.35 4.09 0.00 3.87 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 0.00 69 M 7.96 4.18 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.58 0.00 70 L 7.59 4.31 0.00 1.84 1.79 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 71 T 7.48 3.77 4.37 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 1.20 0.00 0.00 72 T 7.60 4.04 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 73 G 7.80 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 7.52 3.98 0.00 2.04 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 2.36 2.28 0.00 75 L 8.23 4.59 0.00 1.79 1.47 0.92 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.45 5.12 0.00 2.78 2.64 0.00 0.00 7.21 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.36 0.00 2.20 2.06 0.00 3.63 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 2.09 2.15 0.00 78 R 7.90 4.38 0.00 1.92 1.98 0.00 3.16 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 79 H 8.02 4.81 0.00 3.07 3.19 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.65 4.28 1.22 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 81 Q 8.16 4.44 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.46 2.27 0.00 82 C 8.72 4.84 0.00 3.25 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 83 V 8.69 4.69 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 0.72 0.00 0.00 0.97 0.00 0.00 84 T 8.51 4.98 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 85 L 8.69 4.92 0.00 1.45 1.72 0.95 0.60 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 86 Y 8.29 5.49 0.00 2.93 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 87 H 9.83 4.21 0.00 2.81 2.42 0.00 5.93 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 N 9.96 4.31 0.00 2.75 2.87 0.00 0.00 7.23 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 89 G 8.23 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 90 F 8.17 5.35 0.00 3.39 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 91 T 9.03 5.04 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 0.90 0.00 0.00 92 C 8.19 4.32 0.00 1.23 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 93 E 9.05 5.21 0.00 2.19 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 0.00 2.35 2.38 0.00 94 A 8.84 5.33 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.62 4.98 0.00 2.62 1.84 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 96 T 8.71 4.13 4.34 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 1.29 0.00 0.00 97 L 9.60 3.41 0.00 1.74 1.63 -0.12 -0.17 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 98 G 8.29 4.08 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 0.00 0.00 0.00 99 S 8.13 4.24 0.00 4.28 4.29 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 0.00 100 C 8.05 4.09 0.00 3.08 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 0.00 101 G 6.60 4.84 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 0.00 102 Y 7.18 5.45 0.00 2.67 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 0.00 0.00 0.00 103 V 8.39 4.34 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 0.89 0.00 0.00 0.85 0.00 0.00 104 Y 8.71 4.86 0.00 1.84 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 0.00 105 I 9.12 5.50 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.00 0.89 0.00 0.00 106 A 9.13 5.29 1.43 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 0.00 0.00 107 V 9.27 4.70 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 0.97 0.00 0.00 0.87 0.00 0.00 108 Y 8.21 5.77 0.00 3.19 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 0.00 109 P 0.00 4.46 0.00 2.10 2.09 0.00 4.29 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 110 T 8.15 4.60 4.30 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 1.38 0.00 0.00