NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3843 0.0000 0.0000 61.2100 32.5377 176.6553 3 K 4.0658 8.6244 126.2823 54.4934 32.3016 174.1726 4 K 4.3269 9.0261 129.4524 55.0328 33.5853 174.4723 5 V 5.4821 8.3843 125.0692 59.2315 34.2463 174.4619 6 L 4.9510 8.4837 127.1738 53.4434 45.6975 174.6147 7 T 5.0217 8.6171 115.1382 59.8464 71.3301 173.6497 8 G 4.0876 9.3432 117.4656 44.9531 0.0000 171.3319 9 V 4.9587 8.2978 121.4909 59.9614 35.1050 172.9715 10 V 4.2841 8.1217 127.9860 62.3521 32.1146 174.2605 11 V 4.5304 8.3647 117.1645 63.1140 36.5652 176.0162 12 S 4.4347 7.7369 116.9351 59.8099 66.2270 181.9538 13 D 5.0259 8.9394 125.8754 52.4324 40.7044 174.2553 14 K 4.0375 8.3767 126.1174 59.4539 31.6626 181.7089 15 M 4.4246 7.8546 118.1268 54.2882 31.0951 177.9582 16 Q 4.3298 8.5779 118.2385 56.7703 29.1959 176.6035 17 K 4.9055 8.9196 125.2607 54.5816 29.3460 172.0419 18 T 5.3215 7.5204 114.1704 61.3438 72.7703 177.3554 19 V 4.6041 8.9800 125.9124 60.2192 36.2767 174.5975 20 T 4.5503 8.7272 122.7703 60.5658 69.3633 171.5064 21 V 4.7897 8.6023 129.9315 59.3908 34.6795 172.4520 22 L 4.8661 8.7837 130.5140 53.7283 42.4532 174.3460 23 V 4.5496 8.9539 128.0407 59.5297 33.5559 171.9018 24 E 4.9233 8.9152 126.9530 55.2534 31.1570 172.7621 25 R 4.9222 7.7686 127.3112 56.0131 33.3667 173.0473 26 Q 4.7979 8.5034 114.1440 57.5814 31.8958 170.1681 *27 F 4.8724 8.8920 126.2922 55.0621 42.9647 169.3354 28 P 5.0694 0.0000 0.0000 63.3772 31.8347 177.6154 *29 H 4.2143 8.8246 122.4893 55.7811 28.4051 176.5423 30 P 4.2288 0.0000 0.0000 64.5321 30.7686 176.4665 31 L 4.8549 7.9693 116.5646 54.6015 42.6361 179.2541 *32 Y 4.6377 7.5033 113.9855 56.2107 39.4820 180.4049 33 G 4.0596 8.2261 107.2760 47.9425 0.0000 174.7859 34 K 4.2041 8.3574 125.5007 55.9944 32.8309 183.2411 35 V 4.3302 8.3797 122.8729 62.5343 32.8653 176.8080 36 I 4.7674 8.5153 121.2899 60.3177 40.2833 175.6151 37 K 5.1689 8.7462 128.6519 54.3790 34.9537 176.8279 38 R 4.8914 8.5370 125.7069 55.4462 34.5447 171.8318 39 S 4.9310 8.4645 115.4784 59.8979 66.4966 172.1824 40 K 4.7268 8.9264 124.2884 54.9386 36.2940 176.8960 41 K 4.9313 8.8261 129.4808 54.4474 32.9729 175.3521 *42 Y 4.7143 8.9237 128.4418 55.2266 40.6919 172.1759 43 L 4.9608 8.4647 122.6932 53.5709 43.4287 176.0490 44 A 5.7071 8.6903 129.0954 49.6554 22.3046 175.3485 *45 H 5.1050 8.7269 119.9433 54.8050 29.9569 176.5427 46 D 4.8886 9.3398 127.4246 51.6627 39.9699 173.9173 47 P 4.4548 0.0000 0.0000 63.3874 31.0411 176.5987 48 E 4.5153 8.1121 113.7755 56.1889 31.2715 182.6494 49 E 3.9688 8.5439 114.0652 58.2156 27.4390 181.6338 50 R 4.0975 7.7674 120.9220 60.5225 29.6356 181.5711 *51 Y 4.3339 7.8400 118.3656 56.5086 37.7115 178.2118 52 K 4.7625 8.2606 127.9108 51.6817 35.7103 173.5441 53 V 3.6029 8.6154 112.5218 63.2381 31.6902 172.4526 54 G 3.8988 8.3812 107.3254 47.4722 0.0000 173.7397 55 D 4.9026 7.6640 125.3695 52.8068 42.3189 179.4817 56 V 4.3744 8.5137 124.9484 60.9700 32.6097 174.5244 57 V 4.6126 8.4814 127.8181 59.5649 34.9729 172.0634 58 E 5.1974 8.2689 116.0182 56.8390 33.1209 175.3051 59 I 5.6027 8.9760 121.4917 59.0758 40.3087 176.0681 60 I 5.4426 8.1386 124.4330 57.8694 39.9848 175.8538 61 E 4.5964 8.8834 120.9377 57.4793 30.6684 176.8000 62 A 4.4055 7.9068 121.5484 53.1612 23.4752 176.4671 63 R 3.9372 8.8752 118.0894 56.1370 29.7646 171.3288 64 P 4.5248 0.0000 0.0000 62.7288 31.0782 173.0017 65 I 4.6155 9.4413 119.7369 58.0059 36.5271 176.1297 66 S 5.3323 7.9631 119.3721 57.6872 63.7922 178.7412 67 K 4.2107 8.0034 122.4793 60.8483 30.8125 173.0275 68 R 4.4241 9.0472 126.5053 56.2590 27.4129 174.1288 69 K 4.9621 7.6861 123.4218 54.3415 32.1524 180.1341 70 R 4.7242 8.6214 124.0820 56.4667 33.1424 171.0767 *71 F 6.0399 8.2115 121.3695 56.3691 43.0944 178.1483 72 R 4.8885 8.4656 118.6865 57.0390 34.4271 175.2460 73 V 4.1996 8.3269 118.3214 62.3025 31.8620 174.3704 74 L 3.9886 8.5799 131.3901 57.0806 39.0739 176.4777 75 R 4.5837 8.1697 114.8794 55.0950 34.1316 177.4011 76 L 4.3793 8.3482 120.0953 56.8938 41.0973 179.4120 77 V 4.3886 7.7644 110.9220 62.3942 35.4820 173.1258 78 E 5.4377 8.0266 126.7025 57.1409 31.3869 182.5350 79 E 4.2213 8.4419 123.3515 54.0962 29.7318 173.6828 80 G 4.4704 7.4820 115.2739 47.5110 0.0000 175.1845 81 R 4.5129 7.4528 120.8817 55.3944 32.4154 172.1338 82 L 4.2687 8.0355 130.0106 58.0480 41.1292 178.1087 83 D 4.7044 7.3429 122.4445 60.1796 39.9462 184.7658 84 L 4.5807 7.9319 125.2610 59.1338 41.2993 181.5434 85 V 3.9211 7.8689 121.9580 66.7857 31.5650 181.1457 86 E 4.2680 9.0174 122.0154 61.3767 29.1468 182.1291 87 K 4.2136 7.9821 124.9756 60.8154 32.1304 182.6399 *88 Y 4.4128 7.9671 124.1891 62.6004 36.9931 180.8396 89 L 4.2474 8.3597 127.2943 60.2426 40.6746 182.4154 90 V 4.0748 7.7185 120.9891 65.9509 31.7836 181.6514 91 R 4.3295 8.2151 122.0534 62.8938 29.3969 183.6012 92 R 4.1384 8.5647 122.9112 62.7583 28.9972 181.9288 93 Q 4.0721 8.2049 123.4007 60.3444 28.6659 182.3717 94 N 4.7383 8.7301 123.8553 58.3266 37.2593 179.9175 *95 Y 4.4042 8.0619 119.7466 60.1305 36.9830 181.4446 96 A 4.0920 7.6893 124.2380 54.9318 18.7087 178.7113 97 S 4.6612 8.7866 113.0214 58.1291 63.9443 179.5761 98 L 4.4744 9.2373 123.6672 55.5497 41.8982 180.9604 99 S 3.4658 9.6765 124.9275 58.6818 61.1537 169.0411 100 K 3.9895 7.9551 125.2165 54.9853 30.1388 179.8136 101 R 3.8749 8.1083 118.4910 57.7977 30.5919 178.0751 102 G 3.9655 8.2911 107.8030 45.5108 0.0000 173.8383 103 G 3.6503 8.3940 114.7487 48.3384 0.0000 172.7911 104 K 4.2079 7.9314 119.5332 55.2992 32.2950 182.2889 105 A 4.3579 8.0918 126.0506 53.2221 19.1365 175.7895 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 2 P 0.00 4.38 0.00 2.11 1.91 0.00 3.72 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 1.84 1.59 0.00 3 K 8.62 4.07 0.00 1.61 1.64 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.36 1.08 7.81 4 K 9.03 4.33 0.00 1.44 1.71 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.80 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.44 1.01 7.81 5 V 8.38 5.48 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 1.01 0.00 0.00 0.93 0.00 0.00 6 L 8.48 4.95 0.00 1.26 1.48 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.62 5.02 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 1.21 0.00 0.00 8 G 9.34 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 0.00 0.00 0.00 9 V 8.30 4.96 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 0.71 0.00 0.00 0.93 0.00 0.00 10 V 8.12 4.28 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 0.80 0.00 0.00 0.93 0.00 0.00 11 V 8.36 4.53 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 0.75 0.00 0.00 0.93 0.00 0.00 12 S 7.74 4.43 0.00 3.35 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.94 5.03 0.00 2.65 2.52 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 0.00 14 K 8.38 4.04 0.00 1.77 1.77 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.02 7.81 15 M 7.85 4.42 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.10 0.00 16 Q 8.58 4.33 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.36 0.00 0.00 0.00 0.00 0.00 2.33 1.91 0.00 17 K 8.92 4.91 0.00 1.83 1.86 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.34 0.94 7.81 18 T 7.52 5.32 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 1.21 0.00 0.00 19 V 8.98 4.60 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 0.65 0.00 0.00 0.93 0.00 0.00 20 T 8.73 4.55 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 1.21 0.00 0.00 21 V 8.60 4.79 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 0.64 0.00 0.00 0.93 0.00 0.00 22 L 8.78 4.87 0.00 1.32 1.60 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.95 4.55 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 0.64 0.00 0.00 0.93 0.00 0.00 24 E 8.92 4.92 0.00 1.74 1.76 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 2.17 1.87 0.00 25 R 7.77 4.92 0.00 1.53 1.74 0.00 3.27 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 26 Q 8.50 4.80 0.00 1.77 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.72 0.00 0.00 0.00 0.00 0.00 2.12 1.87 0.00 *27 F 8.89 4.87 0.00 1.93 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 0.00 0.00 0.00 28 P 0.00 5.07 0.00 1.85 1.85 0.00 3.72 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 1.94 1.59 0.00 *29 H 8.82 4.21 0.00 2.61 2.98 0.00 7.18 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 30 P 0.00 4.23 0.00 2.08 2.00 0.00 3.65 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 1.94 1.59 0.00 31 L 7.97 4.85 0.00 1.60 1.51 0.92 0.64 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 *32 Y 7.50 4.64 0.00 2.16 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 0.00 0.00 0.00 33 G 8.23 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 34 K 8.36 4.20 0.00 1.41 1.71 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.38 1.28 7.81 35 V 8.38 4.33 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 0.84 0.00 0.00 0.93 0.00 0.00 36 I 8.52 4.77 1.87 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 1.09 0.47 0.91 0.00 0.00 37 K 8.75 5.17 0.00 1.48 1.56 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.68 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 0.97 7.81 38 R 8.54 4.89 0.00 1.43 1.78 0.00 3.22 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.17 0.00 39 S 8.46 4.93 0.00 3.34 3.59 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 0.00 0.00 0.00 0.00 40 K 8.93 4.73 0.00 1.40 1.62 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.26 1.25 7.81 41 K 8.83 4.93 0.00 1.53 1.63 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.69 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.30 1.00 7.81 *42 Y 8.92 4.71 0.00 1.97 2.16 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 43 L 8.46 4.96 0.00 1.30 1.58 0.92 0.81 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 44 A 8.69 5.71 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 *45 H 8.73 5.10 0.00 2.70 2.85 0.00 7.17 0.00 0.00 0.00 0.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 9.34 4.89 0.00 2.29 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 47 P 0.00 4.45 0.00 2.08 1.98 0.00 3.66 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 1.94 1.58 0.00 48 E 8.11 4.52 0.00 1.85 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 0.00 2.20 1.83 0.00 49 E 8.54 3.97 0.00 2.13 1.91 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 2.13 1.85 0.00 50 R 7.77 4.10 0.00 1.86 1.88 0.00 3.23 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 *51 Y 7.84 4.33 0.00 2.32 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 0.00 0.00 0.00 0.00 52 K 8.26 4.76 0.00 1.72 1.61 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.23 0.95 7.81 53 V 8.62 3.60 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 0.70 0.00 0.00 0.93 0.00 0.00 54 G 8.38 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 55 D 7.66 4.90 0.00 2.34 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 56 V 8.51 4.37 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 0.66 0.00 0.00 0.93 0.00 0.00 57 V 8.48 4.61 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 0.65 0.00 0.00 0.93 0.00 0.00 58 E 8.27 5.20 0.00 1.60 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 2.14 2.10 0.00 59 I 8.98 5.60 1.87 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 1.08 1.08 0.91 0.00 0.00 60 I 8.14 5.44 1.87 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 1.20 1.70 0.91 0.00 0.00 61 E 8.88 4.60 0.00 1.75 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 0.00 2.23 1.89 0.00 62 A 7.91 4.41 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 63 R 8.88 3.94 0.00 1.84 1.75 0.00 3.30 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 64 P 0.00 4.52 0.00 2.08 1.90 0.00 3.65 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 1.95 1.62 0.00 65 I 9.44 4.62 1.87 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 1.24 0.91 0.00 0.00 66 S 7.96 5.33 0.00 3.75 3.92 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 67 K 8.00 4.21 0.00 1.77 1.68 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.00 7.81 68 R 9.05 4.42 0.00 1.88 2.28 0.00 3.23 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.08 0.00 69 K 7.69 4.96 0.00 1.86 1.73 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.21 7.81 70 R 8.62 4.72 0.00 1.43 1.83 0.00 3.15 0.00 0.00 3.37 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 *71 F 8.21 6.04 0.00 1.91 2.13 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 72 R 8.47 4.89 0.00 1.44 1.78 0.00 3.18 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.16 0.00 73 V 8.33 4.20 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 0.87 0.00 0.00 0.93 0.00 0.00 74 L 8.58 3.99 0.00 1.43 1.43 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.17 4.58 0.00 1.67 1.75 0.00 3.24 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.19 0.00 76 L 8.35 4.38 0.00 1.65 1.53 0.92 0.71 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 77 V 7.76 4.39 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 0.78 0.00 0.00 0.93 0.00 0.00 78 E 8.03 5.44 0.00 1.99 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 2.09 1.59 0.00 79 E 8.44 4.22 0.00 1.98 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 0.00 2.23 1.87 0.00 80 G 7.48 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 0.00 0.00 0.00 0.00 81 R 7.45 4.51 0.00 1.72 1.77 0.00 3.27 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.35 0.00 82 L 8.04 4.27 0.00 1.65 1.70 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 83 D 7.34 4.70 0.00 2.87 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 84 L 7.93 4.58 0.00 1.64 1.69 0.92 0.91 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 85 V 7.87 3.92 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 0.75 0.00 0.00 0.93 0.00 0.00 86 E 9.02 4.27 0.00 1.93 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 2.25 2.21 0.00 87 K 7.98 4.21 0.00 1.86 1.75 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.32 7.81 *88 Y 7.97 4.41 0.00 2.31 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 0.00 0.00 0.00 89 L 8.36 4.25 0.00 1.62 1.73 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.72 4.07 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 0.90 0.00 0.00 0.93 0.00 0.00 91 R 8.22 4.33 0.00 1.81 1.96 0.00 3.27 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 92 R 8.56 4.14 0.00 1.80 1.95 0.00 3.25 0.00 0.00 3.37 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.30 0.00 93 Q 8.20 4.07 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 94 N 8.73 4.74 0.00 2.70 2.85 0.00 0.00 7.05 7.21 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 *95 Y 8.06 4.40 0.00 2.24 2.37 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 96 A 7.69 4.09 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 97 S 8.79 4.66 0.00 3.55 3.72 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 98 L 9.24 4.47 0.00 1.66 1.47 0.92 0.85 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 99 S 9.68 3.47 0.00 3.75 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 0.00 100 K 7.96 3.99 0.00 1.96 1.73 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.22 0.98 7.81 101 R 8.11 3.87 0.00 1.83 1.87 0.00 3.39 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.26 0.00 102 G 8.29 3.97 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 0.00 0.00 0.00 103 G 8.39 3.65 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 0.00 104 K 7.93 4.21 0.00 1.79 1.72 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.35 1.00 7.81 105 A 8.09 4.36 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 * Residues marked with a * may have inaccurate shift predictions.