NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 41 A 4.3969 8.2649 123.6053 51.5909 20.6125 177.6292 42 P 4.2175 0.0000 0.0000 60.7118 31.8258 172.7647 43 E 4.2776 9.3512 121.8552 55.7943 31.3848 176.5589 44 S 4.7022 8.8207 117.9095 58.4541 63.4041 172.1664 45 F 4.7154 7.3553 115.3445 56.8221 41.5061 172.5057 46 D 4.9015 8.6832 113.0724 54.0089 43.2116 174.5261 47 E 4.8475 9.3730 124.2700 55.1115 33.9732 173.8609 48 V 4.6856 8.3398 119.9462 61.6200 33.0880 174.3951 49 Y 4.7383 9.3227 128.9047 56.8724 41.5058 175.2810 50 K 3.5141 9.5034 128.2682 57.4201 29.5669 175.9088 51 G 4.0323 8.1144 104.8042 45.3239 0.0000 173.0525 52 R 4.7992 7.8150 119.1635 54.1442 33.5092 175.4870 53 R 4.6488 9.2524 124.5347 56.0929 30.8204 174.9487 54 I 5.0806 8.7481 121.8621 59.8956 40.0475 174.8172 55 Q 4.1082 8.8241 119.6377 55.8425 31.9898 172.8520 56 G 4.3498 6.2901 106.2927 46.1000 0.0000 171.8821 57 R 4.2177 8.0266 115.5329 53.9307 33.0764 172.6236 58 P 4.4393 0.0000 0.0000 63.3817 31.1869 175.7237 59 A 4.0921 8.4093 126.6916 54.5224 19.4090 179.0714 *71 G 4.0587 7.6020 99.8000 45.8337 0.0000 170.4495 72 Y 5.1679 8.2704 119.9592 55.4642 42.7848 173.3283 73 E 4.8466 8.8161 125.2604 54.5423 32.7759 175.1410 74 V 5.0276 8.0475 122.3497 61.2360 35.5445 174.0475 75 F 5.2730 9.6741 124.7584 55.8930 43.6141 173.9999 76 V 4.3357 9.1819 122.5062 61.0758 33.6563 175.3185 77 D 4.3311 9.7944 131.2844 55.5446 38.3578 175.4423 78 G 4.0465 8.3483 106.4845 45.4218 0.0000 173.5248 79 V 4.3275 7.2455 119.7883 61.0104 32.9163 174.5952 80 Q 3.5318 8.6350 127.9235 55.6371 29.2078 174.9959 81 L 4.4158 8.4180 129.2514 53.3251 42.5238 174.9536 82 H 4.0736 8.7360 126.4782 57.1301 30.5850 174.2292 83 V 5.0130 8.2743 117.6702 59.9420 35.3961 174.6544 84 M 4.7237 9.1687 121.1868 54.2945 35.7798 173.4206 85 R 3.6686 7.9574 126.0128 54.8388 31.6297 175.4704 86 N 4.6026 8.5087 123.4665 51.6836 40.5567 176.0477 87 A 3.8750 8.6231 122.8806 55.6945 18.2642 178.5441 88 D 4.5700 7.9639 112.5211 53.6104 39.3762 177.5740 89 G 3.7727 7.9220 107.0495 46.4216 0.0000 174.5079 90 S 4.7543 8.0023 115.4109 57.7034 65.2169 172.8697 91 W 5.6092 9.9685 119.8639 55.1889 33.7325 174.4565 92 I 5.0916 8.8850 114.7791 60.0366 41.4823 173.3415 93 S 5.1540 8.6691 115.6991 56.8180 66.2086 175.7578 94 V 3.7396 8.7383 120.0608 64.3396 31.0549 177.4917 95 V 4.0045 7.4845 118.1649 64.0291 32.1704 176.5380 96 S 4.7568 7.7518 113.0386 58.5871 63.6373 173.6441 97 H 4.3196 8.3631 121.6690 56.9228 30.3532 174.9931 98 Y 4.5934 8.0280 114.0932 58.1076 38.7871 175.3623 99 D 4.8410 7.7352 120.0513 51.1156 41.1810 172.4772 100 P 4.6654 0.0000 0.0000 62.1525 32.2006 176.4025 101 V 4.6042 8.8498 115.6318 58.3857 35.1264 174.9779 102 P 4.3021 0.0000 0.0000 65.7132 31.1930 176.7833 103 T 4.4174 7.3080 107.2967 58.0386 73.5062 172.5717 104 P 3.9119 0.0000 0.0000 64.1643 31.0865 178.8392 105 R 2.9416 7.2128 117.7138 58.5344 29.9952 177.8990 106 A 3.7311 7.5094 120.3385 55.1203 18.2797 179.4458 107 A 3.8821 8.2864 119.4429 55.2091 18.3730 179.7929 108 A 4.0006 7.6848 119.0489 55.4327 18.6372 180.1390 109 R 3.8848 8.0679 116.3646 58.8952 29.9222 179.1682 110 A 4.0216 8.2676 120.9742 54.9636 18.3239 179.4376 111 A 3.9273 7.8291 119.2673 55.4310 18.3412 179.6661 112 V 3.5693 7.7126 115.3049 66.7287 31.9043 177.6681 113 D 4.4997 8.2335 118.0414 57.4321 40.5323 178.5298 114 E 4.0350 8.3703 117.6998 59.6427 29.7514 178.9280 115 L 4.0318 8.8840 119.9959 55.3832 42.2017 176.9353 116 Q 3.2856 8.9047 116.8935 56.8862 26.6370 174.9316 117 G 3.9280 8.1901 103.5131 45.4569 0.0000 173.3738 118 A 4.1909 7.9174 123.7928 51.2402 18.9733 175.7099 119 P 4.5749 0.0000 0.0000 61.7938 32.3767 176.4944 120 L 4.2904 8.2237 121.0697 54.6014 42.4020 176.5442 121 L 4.5410 8.0707 120.6363 52.7634 43.0540 175.3504 122 P 4.4399 0.0000 0.0000 63.1112 31.2196 176.2688 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 41 A 8.26 4.40 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 42 P 0.00 4.22 0.00 1.88 1.75 0.00 3.91 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 43 E 9.35 4.28 0.00 2.14 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 0.00 2.28 2.38 0.00 44 S 8.82 4.70 0.00 3.89 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 45 F 7.36 4.72 0.00 3.07 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 46 D 8.68 4.90 0.00 2.57 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 E 9.37 4.85 0.00 2.05 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 2.39 2.42 0.00 48 V 8.34 4.69 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 0.81 0.00 0.00 0.97 0.00 0.00 49 Y 9.32 4.74 0.00 2.95 2.82 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 50 K 9.50 3.51 0.00 1.29 1.54 0.00 0.62 0.00 0.00 1.36 0.00 0.00 2.67 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.08 0.86 7.81 51 G 8.11 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.82 4.80 0.00 1.79 2.23 0.00 3.13 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 53 R 9.25 4.65 0.00 1.93 1.88 0.00 3.08 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 54 I 8.75 5.08 2.19 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.16 1.08 0.00 0.00 55 Q 8.82 4.11 0.00 1.87 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.63 0.00 0.00 0.00 0.00 0.00 2.15 2.39 0.00 56 G 6.29 4.35 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 0.00 57 R 8.03 4.22 0.00 1.55 1.71 0.00 2.76 0.00 0.00 2.99 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.49 0.00 58 P 0.00 4.44 0.00 2.19 2.18 0.00 3.55 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.99 0.00 59 A 8.41 4.09 1.34 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 0.00 0.00 *71 G 7.60 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 72 Y 8.27 5.17 0.00 3.35 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 73 E 8.82 4.85 0.00 2.04 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 2.24 2.31 0.00 74 V 8.05 5.03 2.27 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 1.16 0.00 0.00 1.18 0.00 0.00 75 F 9.67 5.27 0.00 2.88 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 76 V 9.18 4.34 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 1.06 0.00 0.00 1.02 0.00 0.00 77 D 9.79 4.33 0.00 2.89 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 78 G 8.35 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.25 4.33 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 1.00 0.00 0.00 1.04 0.00 0.00 80 Q 8.64 3.53 0.00 1.31 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.13 1.96 0.00 81 L 8.42 4.42 0.00 1.64 1.58 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 82 H 8.74 4.07 0.00 3.23 3.20 0.00 5.66 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.27 5.01 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 0.86 0.00 0.00 1.10 0.00 0.00 84 M 9.17 4.72 0.00 1.92 1.80 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 85 R 7.96 3.67 0.00 0.67 0.85 0.00 2.85 0.00 0.00 2.86 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.50 0.00 86 N 8.51 4.60 0.00 2.47 2.61 0.00 0.00 6.68 7.51 0.00 0.00 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 A 8.62 3.87 1.23 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 0.00 0.00 0.00 88 D 7.96 4.57 0.00 2.75 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 89 G 7.92 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 0.00 0.00 0.00 90 S 8.00 4.75 0.00 4.09 4.03 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 0.00 0.00 0.00 91 W 9.97 5.61 0.00 3.01 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 92 I 8.89 5.09 1.89 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.07 0.84 0.00 0.00 93 S 8.67 5.15 0.00 4.06 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 94 V 8.74 3.74 2.17 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 0.71 0.00 0.00 0.94 0.00 0.00 95 V 7.48 4.00 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 0.80 0.00 0.00 0.97 0.00 0.00 96 S 7.75 4.76 0.00 3.92 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 97 H 8.36 4.32 0.00 3.11 2.85 0.00 5.93 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 98 Y 8.03 4.59 0.00 2.97 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 99 D 7.74 4.84 0.00 2.64 2.60 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 0.00 100 P 0.00 4.67 0.00 2.08 1.95 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 101 V 8.85 4.60 2.07 0.00 0.00 0.00 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 1.09 0.00 0.00 102 P 0.00 4.30 0.00 2.15 2.20 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 103 T 7.31 4.42 3.91 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 1.12 0.00 0.00 104 P 0.00 3.91 0.00 1.38 0.76 0.00 2.93 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 105 R 7.21 2.94 0.00 0.72 1.39 0.00 2.23 0.00 0.00 2.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.08 0.00 106 A 7.51 3.73 1.26 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 0.00 0.00 0.00 107 A 8.29 3.88 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 0.00 108 A 7.68 4.00 1.50 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 0.00 0.00 109 R 8.07 3.88 0.00 1.74 1.63 0.00 2.64 0.00 0.00 2.77 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.10 0.00 110 A 8.27 4.02 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 0.00 111 A 7.83 3.93 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 0.00 112 V 7.71 3.57 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 0.89 0.00 0.00 1.11 0.00 0.00 113 D 8.23 4.50 0.00 3.07 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 0.00 114 E 8.37 4.03 0.00 2.13 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 0.00 2.35 2.44 0.00 115 L 8.88 4.03 0.00 1.93 1.93 0.96 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 8.90 3.29 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.64 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 117 G 8.19 3.93 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 0.00 0.00 0.00 118 A 7.92 4.19 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 0.00 119 P 0.00 4.57 0.00 2.08 2.01 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 120 L 8.22 4.29 0.00 1.67 1.62 0.95 1.00 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 0.00 121 L 8.07 4.54 0.00 1.64 1.59 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 122 P 0.00 4.44 0.00 2.05 2.01 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.