NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2169 8.3144 121.7892 55.6608 33.0115 175.1924 2 E 3.7744 8.7011 127.0064 55.0471 30.1395 174.9698 3 T 4.1153 8.7292 118.2851 61.1310 72.1374 174.9086 4 A 4.0006 8.5740 123.4900 55.4051 18.3893 179.9199 5 A 3.9497 8.0104 118.3859 55.4493 18.5052 179.6493 6 A 4.0466 8.1705 119.2508 54.9144 18.4259 179.7057 7 K 4.0929 8.4733 120.1965 59.1006 32.1605 178.7639 8 F 4.1493 8.3835 120.9169 61.4187 39.3210 176.9960 9 E 4.0252 8.4355 118.2696 59.2288 28.9967 179.4023 10 R 3.8245 7.9586 118.0713 59.6941 30.3457 178.4750 11 Q 3.9760 8.2608 116.5289 58.1396 28.7098 176.6717 12 H 4.6387 7.8947 114.0880 55.1307 30.9803 173.3481 13 M 4.4022 7.7981 119.7393 54.2424 32.7721 176.7027 14 D 4.7224 8.1483 123.0383 52.6063 41.8921 173.8764 15 S 4.2391 7.9630 117.4439 58.0852 63.8706 174.9116 16 S 4.3650 8.4031 119.7605 57.9602 63.7287 174.5021 17 T 4.2899 8.0325 113.0407 61.0370 71.4786 175.4023 18 S 4.2218 8.3908 114.3575 61.0871 62.2135 173.8780 19 P 4.2676 0.0000 0.0000 65.2680 31.1945 177.4658 20 A 4.4099 7.6689 116.4675 51.4315 19.3941 177.5828 21 S 4.4347 7.4442 113.6086 57.3996 64.2461 175.7232 22 S 4.1975 8.6012 116.9743 61.5007 62.4141 176.5610 23 S 4.2032 7.4767 117.4114 60.6450 62.9693 175.1617 24 N 4.7951 8.1551 118.8630 53.1208 38.5756 175.8381 25 Y 4.1000 8.1619 123.4574 61.2073 38.8401 177.5732 26 C 4.1086 8.5150 117.1437 60.0674 40.0961 175.8251 27 N 4.4343 8.1621 116.4950 56.2390 38.2311 176.8279 28 L 4.0183 7.4716 120.1772 58.4076 42.3351 178.6284 29 M 3.8340 7.4049 117.2641 57.9075 33.3243 177.9246 30 M 4.2832 7.8043 119.9071 55.6429 27.8439 177.3567 *33 R 4.1774 7.3975 114.4419 55.0193 32.5518 175.6564 34 N 4.2292 8.0684 113.3052 54.8078 35.3461 174.6073 35 L 4.6065 8.3816 116.1114 54.9033 42.1599 177.9115 36 T 5.2527 7.5695 106.3516 60.2633 69.3987 175.0932 37 K 4.2942 8.4092 123.5530 59.2932 32.3431 177.5218 38 D 4.6959 7.8719 116.7991 55.1934 42.6749 175.9250 39 R 3.5265 7.0398 112.6631 55.0018 31.6420 174.2713 40 C 4.7215 8.6783 116.6227 56.0042 40.2689 173.9198 41 K 4.2013 8.3833 126.8202 55.6443 32.5112 174.5331 42 P 4.7213 0.0000 0.0000 65.6966 31.9665 176.3101 43 V 5.0942 7.5298 117.4289 61.0484 35.0045 173.8039 44 N 4.6749 8.8047 122.5621 52.9109 42.7707 173.0516 45 T 4.7979 7.8002 121.3487 61.6331 71.3926 173.2806 46 F 4.5677 8.9266 124.1066 55.6511 41.8912 174.7227 47 V 4.4603 8.3260 121.9515 61.5404 33.1772 174.7202 48 H 4.8855 9.0494 124.4596 55.8884 29.2962 175.2852 49 E 4.3444 8.0468 119.0163 55.1565 30.6230 176.7881 50 S 4.3954 8.2473 114.9156 58.2130 65.0468 174.9080 51 L 3.9545 8.4479 123.6243 58.0960 41.8476 178.8849 52 A 3.9828 7.9863 120.3249 55.5069 18.1660 179.2693 53 D 4.3407 7.9811 115.8873 57.2894 41.1146 179.0055 54 V 3.7440 7.8478 118.9310 66.1745 31.6348 178.1452 55 Q 3.9867 8.6078 117.9373 58.8770 28.4065 178.7405 56 A 4.0540 8.0942 121.6208 54.7466 18.2651 179.6871 57 V 3.4421 7.6786 116.9528 65.9382 31.3089 176.9390 58 C 4.0886 7.8781 114.8380 57.9345 39.9121 174.0522 59 S 4.6464 7.6975 115.0863 57.9958 63.9451 174.4744 60 Q 4.3875 7.2874 121.5629 56.5043 30.2347 178.8069 61 K 4.2709 8.3571 135.0000 56.4805 32.5828 174.5195 62 N 4.2973 8.7926 127.4916 53.7318 39.3897 174.2700 63 V 4.5922 8.3296 118.4261 59.1947 36.2875 175.1327 64 A 4.0739 8.3776 124.6664 52.2710 19.1066 178.4656 65 C 4.6766 8.8118 119.2150 56.0364 41.1979 175.4618 66 K 3.7734 8.8899 122.0840 59.3565 31.6510 178.0430 67 N 4.5549 7.9696 113.6458 52.8045 37.6828 175.4819 68 G 3.9846 7.8972 108.0410 45.8379 0.0000 174.2892 69 Q 4.3485 7.8538 118.6307 55.9236 29.5502 175.7993 70 T 4.6875 8.1823 106.5795 61.6930 69.2773 173.5732 71 N 5.0612 8.1878 117.4050 54.0439 38.8331 174.5541 72 C 5.2241 7.8322 116.2062 56.7683 42.4502 172.2909 73 Y 5.0950 8.7780 118.6706 56.3714 42.3230 173.9065 74 Q 5.1147 8.9834 125.0591 54.0403 31.5053 175.0337 75 S 4.3532 8.6783 121.1414 58.6020 63.2582 174.2955 76 Y 4.4594 8.5091 119.5931 60.4525 38.0767 176.0276 77 S 5.0940 7.8307 113.9481 56.4743 65.8966 174.3430 78 T 4.1515 8.2467 111.4865 62.1401 69.7910 173.6467 79 M 5.0247 8.9095 121.6182 53.5258 37.1167 174.4381 80 S 4.8720 9.6307 117.6489 58.2966 63.6973 173.1389 81 I 5.0955 8.9269 119.7703 59.6326 41.9148 173.9791 82 T 4.9934 8.8380 118.5341 61.8728 72.0546 172.6055 83 D 5.0307 9.5031 126.9333 53.0405 43.3251 174.1974 84 C 5.8242 8.9311 123.5223 55.1790 39.1341 173.2116 85 R 5.5068 8.8440 119.3891 54.3115 32.9083 174.3488 86 E 4.0763 8.9349 121.9979 57.1796 30.2301 177.5220 87 T 4.2335 8.7172 114.7001 60.6920 69.9184 176.0716 88 G 3.6579 8.5705 111.2978 47.9956 0.0000 174.5529 89 S 4.4750 7.2839 112.2661 58.0076 63.7899 174.5649 90 S 4.0183 7.5082 116.7535 58.5942 62.6611 173.4523 91 K 4.4367 8.5420 128.0393 54.7597 34.7582 174.6242 92 Y 4.3148 8.7846 127.7573 57.6909 39.0242 174.0806 93 P 3.4592 0.0000 0.0000 63.0648 32.4493 176.3915 94 N 4.6388 7.7397 119.8619 52.4545 37.2962 174.4064 95 C 4.4468 7.6990 115.5322 57.1887 41.9065 173.7372 96 A 5.0495 8.4231 123.7685 50.6914 22.4393 174.7448 97 Y 5.1084 9.6262 117.8502 56.0654 42.2566 174.8413 98 K 4.4850 9.4064 124.1756 55.8422 33.9731 175.3104 99 T 4.9055 8.5680 123.9981 62.6753 70.2920 174.3448 100 T 4.5740 8.7402 122.3057 61.9611 72.2113 173.1848 101 Q 4.7501 8.8008 125.6859 55.6055 30.1882 175.0759 102 A 4.5964 8.9646 123.7415 51.3724 23.7606 174.5284 103 N 5.3516 8.6016 115.1975 51.9177 41.3682 174.5529 104 K 4.7195 8.7703 122.2113 55.0151 37.6330 175.5656 105 H 4.9876 9.4374 119.4068 55.8830 29.9864 174.8591 106 I 4.9310 8.5340 114.3503 59.2081 41.0168 174.2574 107 I 4.8489 8.0585 124.0332 59.6806 40.0156 175.1550 108 V 4.7141 8.7668 119.4140 59.3652 36.1258 174.2428 109 A 5.0168 8.9224 124.7620 50.7991 20.9503 175.5161 110 C 5.1825 8.6552 119.2430 55.4675 37.8512 173.0935 111 E 4.6017 8.7534 119.9719 56.6310 34.7009 175.5786 112 G 4.1355 9.4332 108.2503 44.8518 0.0000 171.6852 113 N 4.9682 8.2281 116.3743 50.7528 40.4746 172.4467 114 P 4.3505 0.0000 0.0000 62.8848 31.9160 175.5904 115 Y 5.0526 8.2645 120.6619 56.5821 38.8918 174.4252 116 V 4.5118 8.1370 119.2189 58.2711 36.6945 173.4445 117 P 4.7334 0.0000 0.0000 63.2808 31.0248 177.0692 118 V 4.3782 9.0617 116.2953 61.3095 33.9358 175.4087 119 H 4.9633 7.9091 116.4683 54.1951 33.5909 172.0240 120 F 4.6706 8.7838 123.8376 57.0761 39.8001 174.5503 121 D 4.5994 8.4742 126.9725 56.3673 41.8668 175.8528 122 A 4.7102 6.7330 117.1156 51.3699 22.5150 174.8547 123 S 5.1796 8.8418 113.3430 56.7440 66.1956 174.4090 124 V 4.1102 8.7055 121.1126 63.4072 31.7913 174.3467 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 K 8.31 4.22 0.00 1.73 1.80 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.38 7.81 2 E 8.70 3.77 0.00 2.12 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 0.00 2.40 2.37 0.00 3 T 8.73 4.12 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 4 A 8.57 4.00 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 5 A 8.01 3.95 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 6 A 8.17 4.05 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 7 K 8.47 4.09 0.00 1.94 2.02 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.31 7.81 8 F 8.38 4.15 0.00 3.18 3.21 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 9 E 8.44 4.03 0.00 2.28 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 2.49 2.66 0.00 10 R 7.96 3.82 0.00 1.78 2.06 0.00 3.23 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 1.59 1.63 0.00 11 Q 8.26 3.98 0.00 1.48 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.52 0.00 0.00 0.00 0.00 0.00 2.27 2.48 0.00 12 H 7.89 4.64 0.00 1.97 2.79 0.00 5.64 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 M 7.80 4.40 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.70 0.00 14 D 8.15 4.72 0.00 2.52 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.96 4.24 0.00 3.91 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.40 4.36 0.00 3.98 3.86 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 17 T 8.03 4.29 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 18 S 8.39 4.22 0.00 3.92 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 19 P 0.00 4.27 0.00 2.06 2.11 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 20 A 7.67 4.41 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 21 S 7.44 4.43 0.00 4.04 4.20 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 22 S 8.60 4.20 0.00 4.03 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 0.00 23 S 7.48 4.20 0.00 4.27 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 24 N 8.16 4.80 0.00 2.93 2.89 0.00 0.00 6.44 7.02 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 25 Y 8.16 4.10 0.00 2.89 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 26 C 8.52 4.11 0.00 3.17 3.12 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 0.00 27 N 8.16 4.43 0.00 2.88 2.94 0.00 0.00 6.84 7.85 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 28 L 7.47 4.02 0.00 1.58 1.64 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 29 M 7.40 3.83 0.00 0.75 1.09 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.37 0.00 30 M 7.80 4.28 0.00 1.63 1.76 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.37 0.00 *33 R 7.40 4.18 0.00 1.99 2.08 0.00 3.58 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 34 N 8.07 4.23 0.00 2.89 2.93 0.00 0.00 6.97 7.85 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 35 L 8.38 4.61 0.00 1.73 1.65 0.88 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.57 5.25 4.42 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 1.43 0.00 0.00 37 K 8.41 4.29 0.00 1.83 1.98 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.49 1.44 7.81 38 D 7.87 4.70 0.00 2.60 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 39 R 7.04 3.53 0.00 1.57 1.68 0.00 3.09 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 40 C 8.68 4.72 0.00 3.09 3.13 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 41 K 8.38 4.20 0.00 1.97 1.80 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.40 7.81 42 P 0.00 4.72 0.00 2.19 2.33 0.00 3.73 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 43 V 7.53 5.09 2.12 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 0.83 0.00 0.00 0.98 0.00 0.00 44 N 8.80 4.67 0.00 2.70 2.33 0.00 0.00 7.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.80 4.80 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 0.87 0.00 0.00 46 F 8.93 4.57 0.00 3.10 3.01 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 47 V 8.33 4.46 2.12 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 0.87 0.00 0.00 0.99 0.00 0.00 48 H 9.05 4.89 0.00 3.14 3.30 0.00 5.70 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.05 4.34 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 50 S 8.25 4.40 0.00 4.06 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 51 L 8.45 3.95 0.00 1.79 1.72 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.99 3.98 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 53 D 7.98 4.34 0.00 2.82 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 54 V 7.85 3.74 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 1.07 0.00 0.00 0.99 0.00 0.00 55 Q 8.61 3.99 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 56 A 8.09 4.05 1.46 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 0.00 0.00 57 V 7.68 3.44 2.14 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 1.05 0.00 0.00 1.00 0.00 0.00 58 C 7.88 4.09 0.00 2.96 2.84 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 59 S 7.70 4.65 0.00 3.90 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 60 Q 7.29 4.39 0.00 1.72 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.02 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 61 K 8.36 4.27 0.00 1.96 1.77 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.42 7.81 62 N 8.79 4.30 0.00 2.79 2.65 0.00 0.00 7.00 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 63 V 8.33 4.59 1.99 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 0.70 0.00 0.00 0.80 0.00 0.00 64 A 8.38 4.07 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 65 C 8.81 4.68 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 66 K 8.89 3.77 0.00 1.71 1.86 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.55 7.81 67 N 7.97 4.55 0.00 2.80 2.89 0.00 0.00 6.30 7.00 0.00 0.00 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 G 7.90 3.98 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 0.00 0.00 0.00 69 Q 7.85 4.35 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.33 0.00 70 T 8.18 4.69 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 1.17 0.00 0.00 71 N 8.19 5.06 0.00 3.15 3.20 0.00 0.00 6.07 7.68 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 72 C 7.83 5.22 0.00 2.92 2.87 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 73 Y 8.78 5.10 0.00 2.86 2.88 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 74 Q 8.98 5.11 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.97 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 75 S 8.68 4.35 0.00 3.97 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 76 Y 8.51 4.46 0.00 3.12 2.99 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 77 S 7.83 5.09 0.00 3.79 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 78 T 8.25 4.15 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 1.02 0.00 0.00 79 M 8.91 5.02 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 80 S 9.63 4.87 0.00 3.88 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 81 I 8.93 5.10 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.18 1.04 0.00 0.00 82 T 8.84 4.99 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 1.26 0.00 0.00 83 D 9.50 5.03 0.00 2.69 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 84 C 8.93 5.82 0.00 3.00 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 85 R 8.84 5.51 0.00 1.86 2.05 0.00 2.84 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 86 E 8.93 4.08 0.00 1.84 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 0.00 1.76 2.33 0.00 87 T 8.72 4.23 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 1.20 0.00 0.00 88 G 8.57 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 89 S 7.28 4.48 0.00 4.05 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 90 S 7.51 4.02 0.00 3.89 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 91 K 8.54 4.44 0.00 1.72 1.57 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.39 7.81 92 Y 8.78 4.31 0.00 2.98 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 93 P 0.00 3.46 0.00 1.80 1.11 0.00 3.61 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 94 N 7.74 4.64 0.00 2.95 2.77 0.00 0.00 6.97 7.83 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 95 C 7.70 4.45 0.00 3.13 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 96 A 8.42 5.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 9.63 5.11 0.00 2.94 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 98 K 9.41 4.49 0.00 1.83 1.74 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.45 7.81 99 T 8.57 4.91 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 1.30 0.00 0.00 100 T 8.74 4.57 4.28 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 1.23 0.00 0.00 101 Q 8.80 4.75 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 102 A 8.96 4.60 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 0.00 103 N 8.60 5.35 0.00 2.55 2.72 0.00 0.00 6.63 7.61 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 0.00 104 K 8.77 4.72 0.00 1.71 1.82 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.61 7.81 105 H 9.44 4.99 0.00 3.26 3.23 0.00 5.76 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.53 4.93 1.78 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 1.26 0.91 1.14 0.00 0.00 107 I 8.06 4.85 1.75 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 1.13 0.73 0.77 0.00 0.00 108 V 8.77 4.71 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 0.54 0.00 0.00 0.88 0.00 0.00 109 A 8.92 5.02 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 0.00 110 C 8.66 5.18 0.00 1.82 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 0.00 0.00 0.00 0.00 111 E 8.75 4.60 0.00 1.84 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 2.25 2.43 0.00 112 G 9.43 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 0.00 0.00 0.00 113 N 8.23 4.97 0.00 2.66 2.70 0.00 0.00 6.89 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 0.00 114 P 0.00 4.35 0.00 2.24 2.07 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 115 Y 8.26 5.05 0.00 2.84 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.14 4.51 2.02 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 0.72 0.00 0.00 0.93 0.00 0.00 117 P 0.00 4.73 0.00 1.90 1.95 0.00 3.55 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 118 V 9.06 4.38 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 0.60 0.00 0.00 0.88 0.00 0.00 119 H 7.91 4.96 0.00 3.01 3.10 0.00 5.59 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.78 4.67 0.00 3.00 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 0.00 121 D 8.47 4.60 0.00 2.56 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 6.73 4.71 1.18 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 0.00 0.00 123 S 8.84 5.18 0.00 3.98 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 0.00 124 V 8.71 4.11 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 0.86 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.