NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6392 8.2516 119.7465 55.7354 33.4686 174.9372 2 N 4.4848 8.6234 124.0070 55.0569 39.8821 175.1279 3 T 3.8795 8.5869 115.3369 65.0094 67.8240 175.4728 4 E 3.9994 8.0786 120.3157 59.1858 29.5676 178.4293 5 E 3.9395 8.2158 118.8883 59.4493 29.6518 178.7471 6 L 4.1026 8.2251 118.8717 57.5689 41.6205 179.4231 7 Q 4.1209 8.0220 117.9927 58.7908 28.6327 178.8967 8 V 3.6121 8.0378 119.2106 65.9194 31.6012 177.6174 9 A 3.9477 8.3913 120.5983 55.3430 18.1821 178.9606 10 A 3.8961 8.3907 118.8678 55.9070 18.4520 179.8068 11 F 3.7828 8.6850 115.5238 60.4096 39.0033 177.4079 12 E 3.9490 8.8346 119.3103 59.5027 29.3942 178.9270 13 I 3.6557 7.8497 119.4718 64.4935 37.1296 178.4364 14 I 3.4650 7.7293 120.3327 64.3229 36.9496 178.3301 15 L 3.9759 8.3754 119.9438 58.2093 41.5435 179.5960 16 N 4.3951 8.1549 116.1904 56.2151 38.2281 177.5509 17 S 4.2260 8.8131 115.1851 61.2738 62.4562 176.4938 18 G 3.6012 8.3403 108.8725 47.5450 0.0000 175.2675 19 N 4.2976 8.1968 119.1480 56.4862 39.0460 176.7699 20 A 3.9917 8.0132 122.1672 55.1690 18.4701 179.5464 21 R 3.8774 8.4140 117.8185 59.6317 30.2392 178.7018 22 S 4.4165 8.0330 112.6630 60.4726 63.1518 176.5022 23 I 4.0190 7.6292 125.4804 63.9800 36.8456 178.1579 24 V 3.4069 8.2851 119.4059 66.4206 31.1646 177.8420 25 H 4.4431 8.3951 115.9572 58.6221 28.3971 177.2448 26 E 3.9661 8.7001 120.8106 59.5551 29.3706 179.3553 27 A 3.9640 8.1522 120.5042 55.2637 18.3930 179.4089 28 F 4.3708 8.0276 116.3541 61.2269 38.8095 177.6233 29 D 4.4099 8.5652 117.1755 57.3225 40.7949 178.7425 30 A 4.0787 8.1591 121.4432 55.4090 18.5313 179.3965 31 M 3.8240 7.9690 115.4842 58.6283 30.6849 178.6556 32 R 4.0365 7.7135 119.5489 58.3087 30.4993 177.9129 33 E 4.3379 8.1855 117.0139 55.9787 29.8446 177.9180 34 K 3.4227 7.5497 115.8486 57.1224 30.9700 176.8797 35 N 4.3814 7.1991 118.6633 52.6963 36.7665 174.5262 36 Y 4.4254 7.2041 123.1283 60.1979 38.3766 177.3450 37 I 3.7065 7.7335 120.6537 64.3078 37.2293 177.8805 38 L 3.9028 7.9008 120.3528 58.0934 41.9544 178.5968 39 A 3.9343 7.8110 120.3928 55.0790 18.4141 179.2965 40 E 3.8425 8.4317 118.0842 59.3707 29.7294 178.9803 41 Q 3.9632 8.2014 117.7991 59.3697 28.5791 178.3306 42 K 3.8111 8.2568 121.0142 59.3555 32.2125 179.0327 43 L 3.8964 7.9680 118.8808 57.7727 41.4695 179.2206 44 Q 4.1498 7.9551 118.9506 58.5337 29.1551 177.7406 45 E 4.3561 8.7092 121.4533 58.8452 29.5056 179.0906 46 A 4.0357 8.3914 121.1462 54.9577 18.2672 179.4153 47 N 4.2174 7.6838 113.8304 56.6065 38.5209 176.8373 48 D 4.4165 7.9901 120.2106 57.7433 41.0108 179.2191 49 E 3.9480 8.0381 118.1186 59.4507 29.4677 179.1914 50 L 3.9940 8.3172 120.9905 58.0423 42.1538 178.8867 51 L 4.1143 8.2920 119.5351 58.0623 40.3897 179.3807 52 K 3.8936 8.1700 119.9088 59.3887 32.0058 178.7872 53 A 3.9188 7.9913 120.2982 55.5202 18.4481 178.4834 54 H 4.0606 8.4458 116.9268 59.9811 29.7894 176.6178 55 Q 3.9573 8.7416 120.9234 59.1898 28.8447 178.4122 56 A 3.9773 7.8859 121.5713 55.2156 18.4744 179.3152 57 Q 3.8846 8.1775 117.9024 59.7106 29.0801 178.4874 58 T 3.8453 8.3580 116.9623 66.9891 68.5242 176.2348 59 D 4.2263 8.4653 120.9590 57.2036 40.6555 178.7039 60 L 3.9990 7.9218 120.7827 58.1173 42.0442 179.0550 61 L 4.0661 8.4167 119.3457 57.8598 41.3328 179.3709 62 Q 4.0219 8.6625 117.6062 59.1567 28.7719 178.5586 63 E 4.1229 8.3584 119.4444 59.4614 29.5871 178.8097 64 Y 4.4579 7.9285 119.0743 59.8626 39.1320 176.0284 65 A 3.9374 8.0405 126.5018 54.2816 18.1180 176.0141 66 S 5.1131 9.1483 127.0247 58.8433 60.3555 176.3496 67 G 3.6570 7.1591 108.9955 45.4057 0.0000 174.3041 68 T 3.9413 7.2967 110.4783 61.4607 69.0474 174.0727 69 E 4.1982 8.7166 126.4551 55.9373 30.2309 176.1896 70 I 4.3747 8.4037 123.7844 59.3812 39.0816 174.8212 71 K 4.4182 8.5203 127.3665 54.4895 33.6618 175.1735 72 I 3.4803 8.5217 126.8047 61.4614 36.4719 176.3221 73 E 4.0868 9.2079 122.5997 57.1996 31.0779 174.8151 74 I 3.7328 8.4209 125.0227 64.1063 37.9094 177.9984 75 I 3.7312 7.7051 113.7944 63.7959 37.5839 177.6235 76 M 3.9223 7.8358 119.8843 58.4866 32.0248 177.9646 77 V 3.5252 7.8666 117.7881 66.6770 31.5438 177.3309 78 H 4.1606 8.4658 117.4077 58.9648 29.6639 176.8896 79 A 3.8435 8.3206 123.0451 55.4664 18.2901 179.5818 80 Q 4.0133 8.5540 116.6289 59.1911 28.6859 179.0404 81 D 4.3221 8.4120 120.2188 57.5719 40.8821 178.2249 82 H 3.9025 8.0284 118.7056 59.2295 29.7548 176.5979 83 L 4.0104 8.3122 123.6638 58.2147 41.8904 179.0110 84 M 3.9372 8.2804 118.2881 58.5729 31.8552 179.0286 85 T 4.0734 8.1504 116.1488 66.6103 68.6650 177.2236 86 T 3.9038 7.8848 117.9506 66.4795 68.3653 176.4672 87 M 3.9553 8.6305 120.7265 59.0481 32.2514 178.1555 88 T 3.7850 8.2902 113.5761 65.0444 67.4558 175.4575 89 L 3.9783 8.2905 122.6871 58.3418 41.9572 179.1216 90 R 3.8535 8.1439 118.4510 59.2284 29.8993 178.0347 91 E 3.9277 8.3515 118.6962 59.5564 29.4141 179.6615 92 V 3.5824 8.1579 118.0100 65.9237 31.4254 177.6607 93 A 3.9122 8.1397 119.5604 55.9172 18.3713 178.8835 94 I 3.5169 8.0879 117.8043 64.8102 36.9897 177.9107 95 E 3.9659 8.3384 118.6253 60.4259 29.6360 179.8946 96 M 4.2057 8.5056 118.2299 57.7999 31.9347 178.5154 97 L 4.0403 8.3003 121.5580 58.0752 41.9979 178.5990 98 E 3.8897 7.6811 118.2475 59.0670 29.7601 178.5336 99 L 4.0474 7.9436 118.5232 58.2134 41.9406 178.7404 100 Y 4.3637 7.8763 116.5239 61.2445 37.7207 179.1856 101 K 3.6793 7.9047 117.3548 57.6107 32.1629 177.2025 102 K 4.2062 8.6355 124.8606 56.8809 32.6628 175.8918 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 8.25 4.64 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 2 N 8.62 4.48 0.00 2.96 2.79 0.00 0.00 6.82 6.33 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 3 T 8.59 3.88 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 4 E 8.08 4.00 0.00 2.02 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 2.56 2.31 0.00 5 E 8.22 3.94 0.00 2.20 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 2.40 2.42 0.00 6 L 8.23 4.10 0.00 1.76 1.72 0.97 0.84 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 7 Q 8.02 4.12 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.63 0.00 8 V 8.04 3.61 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 0.94 0.00 0.00 0.98 0.00 0.00 9 A 8.39 3.95 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 10 A 8.39 3.90 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 11 F 8.68 3.78 0.00 3.30 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 12 E 8.83 3.95 0.00 2.18 2.08 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 2.34 2.40 0.00 13 I 7.85 3.66 2.00 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 1.69 0.70 0.91 0.00 0.00 14 I 7.73 3.46 1.53 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.50 0.65 0.00 0.00 15 L 8.38 3.98 0.00 1.78 1.76 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.15 4.40 0.00 2.95 2.86 0.00 0.00 6.72 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 17 S 8.81 4.23 0.00 3.89 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 18 G 8.34 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.20 4.30 0.00 3.01 2.97 0.00 0.00 7.05 8.77 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 20 A 8.01 3.99 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.41 3.88 0.00 2.09 2.02 0.00 3.08 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 22 S 8.03 4.42 0.00 4.13 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 0.00 23 I 7.63 4.02 2.00 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 1.52 1.55 0.95 0.00 0.00 24 V 8.29 3.41 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 0.85 0.00 0.00 0.90 0.00 0.00 25 H 8.40 4.44 0.00 3.31 3.42 0.00 5.70 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 26 E 8.70 3.97 0.00 2.23 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 2.36 2.54 0.00 27 A 8.15 3.96 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 28 F 8.03 4.37 0.00 3.34 3.06 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 29 D 8.57 4.41 0.00 2.84 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 30 A 8.16 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 31 M 7.97 3.82 0.00 2.17 1.48 0.00 0.00 0.00 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.95 0.00 32 R 7.71 4.04 0.00 2.03 2.08 0.00 3.19 0.00 0.00 3.13 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 33 E 8.19 4.34 0.00 2.01 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 2.29 2.46 0.00 34 K 7.55 3.42 0.00 1.69 1.62 0.00 1.68 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.35 1.29 7.81 35 N 7.20 4.38 0.00 2.64 2.60 0.00 0.00 7.18 8.72 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 36 Y 7.20 4.43 0.00 3.06 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 37 I 7.73 3.71 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.59 0.92 0.00 0.00 38 L 7.90 3.90 0.00 1.85 1.64 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.81 3.93 1.42 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 0.00 0.00 0.00 40 E 8.43 3.84 0.00 2.12 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 2.30 2.30 0.00 41 Q 8.20 3.96 0.00 2.31 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.50 0.00 0.00 0.00 0.00 0.00 2.66 2.39 0.00 42 K 8.26 3.81 0.00 2.03 1.88 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.35 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.53 7.81 43 L 7.97 3.90 0.00 1.87 1.66 0.84 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 7.96 4.15 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 45 E 8.71 4.36 0.00 2.18 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 2.18 0.00 46 A 8.39 4.04 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 47 N 7.68 4.22 0.00 2.96 2.87 0.00 0.00 6.90 7.96 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 48 D 7.99 4.42 0.00 2.92 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 49 E 8.04 3.95 0.00 2.15 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 2.49 2.46 0.00 50 L 8.32 3.99 0.00 1.93 1.66 0.88 0.61 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 51 L 8.29 4.11 0.00 1.94 1.95 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.17 3.89 0.00 1.98 1.91 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.64 7.81 53 A 7.99 3.92 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 54 H 8.45 4.06 0.00 3.17 3.34 0.00 5.63 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 55 Q 8.74 3.96 0.00 2.30 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.62 0.00 56 A 7.89 3.98 1.39 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 0.00 0.00 57 Q 8.18 3.88 0.00 2.16 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 58 T 8.36 3.85 4.32 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 1.18 0.00 0.00 59 D 8.47 4.23 0.00 2.81 2.73 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 60 L 7.92 4.00 0.00 2.07 1.72 0.95 0.65 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 61 L 8.42 4.07 0.00 1.84 1.74 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.66 4.02 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 63 E 8.36 4.12 0.00 2.18 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 2.53 2.48 0.00 64 Y 7.93 4.46 0.00 3.06 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 65 A 8.04 3.94 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 66 S 9.15 5.11 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 67 G 7.16 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 7.30 3.94 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 1.21 0.00 0.00 69 E 8.72 4.20 0.00 2.01 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 2.38 2.39 0.00 70 I 8.40 4.37 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.89 0.93 0.00 0.00 71 K 8.52 4.42 0.00 1.73 1.73 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.41 7.81 72 I 8.52 3.48 1.86 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 1.25 0.86 0.89 0.00 0.00 73 E 9.21 4.09 0.00 2.14 2.20 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 2.25 2.32 0.00 74 I 8.42 3.73 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.40 0.91 0.00 0.00 75 I 7.71 3.73 1.83 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.05 0.91 0.00 0.00 76 M 7.84 3.92 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.59 0.00 77 V 7.87 3.53 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 1.06 0.00 0.00 0.97 0.00 0.00 78 H 8.47 4.16 0.00 3.31 3.40 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 79 A 8.32 3.84 1.39 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 0.00 0.00 80 Q 8.55 4.01 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 81 D 8.41 4.32 0.00 2.81 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 82 H 8.03 3.90 0.00 3.31 3.32 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.31 4.01 0.00 1.69 1.71 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 84 M 8.28 3.94 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.81 0.00 85 T 8.15 4.07 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 86 T 7.88 3.90 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 1.28 0.00 0.00 87 M 8.63 3.96 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.67 0.00 88 T 8.29 3.79 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 1.25 0.00 0.00 89 L 8.29 3.98 0.00 1.95 1.86 1.04 0.87 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 90 R 8.14 3.85 0.00 1.88 2.02 0.00 3.13 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 1.58 1.59 0.00 91 E 8.35 3.93 0.00 2.22 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 2.32 2.45 0.00 92 V 8.16 3.58 2.32 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 1.22 0.00 0.00 1.00 0.00 0.00 93 A 8.14 3.91 0.77 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 0.00 0.00 94 I 8.09 3.52 1.99 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 1.48 0.55 0.89 0.00 0.00 95 E 8.34 3.97 0.00 2.00 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 0.00 2.34 2.43 0.00 96 M 8.51 4.21 0.00 2.29 2.53 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 2.69 2.57 0.00 97 L 8.30 4.04 0.00 1.95 1.64 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 98 E 7.68 3.89 0.00 1.91 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 2.30 2.36 0.00 99 L 7.94 4.05 0.00 1.65 1.56 0.85 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 7.88 4.36 0.00 3.22 2.67 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 0.00 0.00 0.00 0.00 101 K 7.90 3.68 0.00 1.56 1.73 0.00 1.49 0.00 0.00 1.66 0.00 0.00 3.15 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.17 0.58 7.81 102 K 8.64 4.21 0.00 1.74 1.71 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.53 7.81