NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.6278 8.1776 116.7498 58.4620 64.6649 172.1604 2 K 4.7184 8.6009 124.6188 53.0353 34.4416 173.3320 3 C 4.5674 8.4688 117.9333 54.0614 43.9478 174.3696 4 K 4.2715 8.4839 122.3553 56.9858 31.5520 177.1678 5 C 4.8406 8.3607 118.8123 55.6327 41.6016 173.9812 6 S 3.9755 7.9843 114.0602 58.6372 61.6168 171.4080 7 R 4.6198 7.6489 115.5241 56.9667 35.0964 176.7248 8 K 4.2962 7.4758 113.9720 54.6182 34.5554 177.8341 9 G 3.6985 7.3368 105.4928 44.9088 0.0000 171.4632 10 P 4.1642 0.0000 0.0000 62.1225 31.9096 175.9819 11 K 3.7169 8.3926 122.9417 56.7134 32.2786 176.2446 12 I 4.0789 7.6072 127.2098 60.1364 38.6135 175.4766 13 R 4.4378 8.2218 122.4844 54.3230 32.5544 177.2849 14 Y 3.8894 7.3218 117.0177 61.1224 37.8906 178.9928 15 S 4.7605 7.6367 114.4208 61.0148 63.2831 174.9025 16 D 4.5379 8.2414 120.3522 55.7975 41.0425 176.2513 17 V 4.3735 7.5299 119.5058 62.0843 31.8696 175.4450 18 K 4.5790 9.1355 127.3215 58.2262 33.3447 177.1612 19 K 4.7463 7.6888 118.8188 55.1348 35.7689 174.2275 20 L 5.2169 8.7258 127.8740 53.4504 44.5908 175.1804 21 E 4.8579 9.4763 125.3222 54.8304 34.0026 174.7925 22 M 5.0732 8.5693 122.4415 54.0016 33.7850 175.5088 23 K 4.6984 8.7303 122.3659 54.9760 36.3258 173.9364 24 P 4.6838 0.0000 0.0000 62.3016 32.2021 176.4298 25 K 4.0273 8.6452 121.4019 58.9894 32.4252 176.9120 26 Y 4.6745 7.5787 114.9693 55.2745 41.5452 174.5265 27 P 4.2744 0.0000 0.0000 65.3955 31.6845 176.8534 28 H 5.0123 7.5920 113.2699 55.9257 28.6995 174.2847 29 C 5.9175 7.5029 115.5605 55.0216 42.9264 173.6447 30 E 4.1759 8.6294 121.8898 56.9497 29.7881 177.9294 31 E 3.8234 8.5984 124.3043 55.3365 28.7671 173.4277 32 K 4.4263 8.2425 118.1785 56.3791 33.2015 177.4419 33 M 4.4057 8.2747 122.8901 54.8364 34.2932 175.3091 34 V 4.5981 8.2524 120.5797 61.8851 33.2141 174.5079 35 I 4.9455 9.1884 130.0426 59.8027 39.5061 174.7654 36 I 4.8748 8.9446 127.8171 59.8433 40.2389 174.5196 37 T 4.9072 8.8681 124.8885 62.3981 70.0678 174.8161 38 T 5.4434 8.4432 116.4151 60.2929 70.3693 175.0784 39 K 3.9218 8.9308 124.0190 58.6123 32.1472 176.9939 40 S 4.6272 7.7954 121.0960 59.3805 65.2332 178.0110 41 V 3.9843 7.5494 125.1740 60.6723 30.1353 175.1423 42 S 4.8143 7.5904 117.0671 55.4877 65.7735 174.7409 43 R 4.0885 8.7564 121.7503 58.3072 29.4040 176.4201 44 Y 4.4233 7.7486 118.9874 57.0901 39.1918 174.0880 45 R 3.8325 7.7147 117.9770 58.0916 29.9801 176.4874 46 G 3.9739 9.2320 113.7135 45.2659 0.0000 172.5525 47 Q 4.6410 7.7389 117.5503 53.8733 31.7965 174.4984 48 E 4.9300 8.5085 119.5069 55.4836 31.4200 175.7770 49 H 4.6683 9.4225 121.2659 55.4589 30.7239 171.9391 50 C 5.4851 8.3911 114.3551 54.0322 39.4481 173.1511 51 L 4.8050 8.9584 123.9218 53.4603 43.9529 175.4697 52 H 4.6129 9.0022 123.9729 54.1911 30.2704 173.8522 53 P 4.3855 0.0000 0.0000 63.7950 30.8773 177.3381 54 K 4.1701 7.6984 118.7956 57.8827 32.6809 177.1095 55 L 4.5717 7.5278 119.2688 53.4976 43.0933 177.6029 56 Q 4.0590 8.5288 119.9828 59.5587 28.6344 178.8082 57 S 4.2170 8.0789 116.5102 61.3996 62.7434 176.5468 58 T 3.9080 7.5241 118.2022 66.4986 68.1265 176.4504 59 K 3.9776 7.8578 120.2203 59.8349 32.1592 179.6187 60 R 4.0707 8.0472 117.5594 59.2947 30.0718 178.7495 61 F 4.4778 8.2673 120.4808 61.3796 39.3116 177.3525 62 I 4.0214 8.4975 119.9645 64.3163 36.8803 178.3082 63 K 4.0080 8.5161 120.7932 59.2229 31.9763 178.7317 64 W 3.7625 8.8603 129.2577 60.3944 30.4995 177.4362 65 Y 4.2876 8.3957 119.7970 60.8074 38.0161 177.6492 66 N 3.8928 8.3454 116.4987 56.0349 38.8463 177.0672 67 A 3.9023 7.5057 122.2281 54.8259 18.5903 179.3851 68 W 4.0337 8.2367 127.3392 60.6843 30.6663 177.6070 69 N 3.9315 8.4730 117.8867 56.4215 38.1857 176.4362 70 E 3.8494 7.7018 120.3776 59.0561 29.7840 178.9325 71 K 3.9061 7.5381 118.1386 59.0806 32.0245 179.3359 72 R 3.8332 7.2869 117.6883 58.8036 30.1355 178.5815 73 R 4.0574 8.3521 117.6957 56.3822 31.0994 173.9672 74 V 3.2101 7.0710 118.8737 63.1123 29.6084 169.8685 75 Y 4.5191 8.5977 122.3324 55.3440 37.7744 174.9997 76 E 4.4780 7.6436 119.1481 54.0543 30.8837 175.0005 77 E 4.2597 8.3432 124.5794 56.4154 29.4986 174.8324 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 S 8.18 4.63 0.00 4.04 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 2 K 8.60 4.72 0.00 1.90 1.83 0.00 1.41 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.44 7.81 3 C 8.47 4.57 0.00 3.28 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 4 K 8.48 4.27 0.00 1.88 1.85 0.00 1.51 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.48 7.81 5 C 8.36 4.84 0.00 2.97 3.30 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 6 S 7.98 3.98 0.00 3.98 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.65 4.62 0.00 1.78 1.79 0.00 3.09 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 8 K 7.48 4.30 0.00 1.45 1.53 0.00 0.93 0.00 0.00 1.24 0.00 0.00 2.56 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.89 0.95 7.81 9 G 7.34 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 0.00 0.00 0.00 10 P 0.00 4.16 0.00 1.98 1.98 0.00 3.19 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 11 K 8.39 3.72 0.00 1.58 1.63 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.25 1.27 7.81 12 I 7.61 4.08 1.20 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.30 0.79 0.00 0.00 13 R 8.22 4.44 0.00 2.00 1.60 0.00 3.05 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.45 0.00 14 Y 7.32 3.89 0.00 1.74 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 15 S 7.64 4.76 0.00 3.88 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 16 D 8.24 4.54 0.00 2.94 2.72 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 17 V 7.53 4.37 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 0.28 0.00 0.00 0.92 0.00 0.00 18 K 9.14 4.58 0.00 1.82 1.93 0.00 1.93 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.57 1.59 7.81 19 K 7.69 4.75 0.00 1.88 1.65 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.80 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.52 7.81 20 L 8.73 5.22 0.00 1.63 1.71 1.16 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 21 E 9.48 4.86 0.00 1.91 1.80 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 2.25 2.30 0.00 22 M 8.57 5.07 0.00 1.90 2.03 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 23 K 8.73 4.70 0.00 1.85 1.86 0.00 1.19 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.43 7.81 24 P 0.00 4.68 0.00 2.39 2.30 0.00 3.77 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 1.99 1.96 0.00 25 K 8.65 4.03 0.00 1.75 2.00 0.00 1.52 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.54 1.42 7.81 26 Y 7.58 4.67 0.00 2.82 2.40 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 27 P 0.00 4.27 0.00 2.24 2.13 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 28 H 7.59 5.01 0.00 3.15 3.42 0.00 5.70 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 7.50 5.92 0.00 3.05 3.04 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 30 E 8.63 4.18 0.00 1.96 1.89 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 2.32 2.40 0.00 31 E 8.60 3.82 0.00 2.10 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 2.21 2.38 0.00 32 K 8.24 4.43 0.00 1.65 1.74 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.42 7.81 33 M 8.27 4.41 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.66 0.00 34 V 8.25 4.60 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 1.16 0.00 0.00 0.96 0.00 0.00 35 I 9.19 4.95 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.89 0.94 0.00 0.00 36 I 8.94 4.87 1.81 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.66 0.83 0.00 0.00 37 T 8.87 4.91 4.38 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 1.26 0.00 0.00 38 T 8.44 5.44 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 1.35 0.00 0.00 39 K 8.93 3.92 0.00 1.90 1.95 0.00 1.97 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.52 7.81 40 S 7.80 4.63 0.00 4.02 3.85 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 0.00 0.00 0.00 41 V 7.55 3.98 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 0.75 0.00 0.00 0.96 0.00 0.00 42 S 7.59 4.81 0.00 3.93 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 43 R 8.76 4.09 0.00 2.00 2.08 0.00 3.28 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 44 Y 7.75 4.42 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 45 R 7.71 3.83 0.00 2.10 1.85 0.00 3.48 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 1.84 1.79 0.00 46 G 9.23 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 47 Q 7.74 4.64 0.00 1.24 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.51 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 48 E 8.51 4.93 0.00 1.88 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 0.00 2.27 2.43 0.00 49 H 9.42 4.67 0.00 2.84 2.96 0.00 5.56 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 C 8.39 5.49 0.00 2.92 3.03 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 51 L 8.96 4.80 0.00 1.61 1.57 0.79 0.51 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 52 H 9.00 4.61 0.00 3.18 3.21 0.00 5.59 0.00 0.00 0.00 0.00 6.86 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 4.39 0.00 2.19 2.14 0.00 3.65 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.22 0.00 54 K 7.70 4.17 0.00 1.81 1.91 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.23 1.55 7.81 55 L 7.53 4.57 0.00 1.71 1.58 0.92 0.94 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 56 Q 8.53 4.06 0.00 2.27 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 57 S 8.08 4.22 0.00 3.87 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 58 T 7.52 3.91 4.41 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 1.25 0.00 0.00 59 K 7.86 3.98 0.00 2.02 1.93 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.27 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.59 7.81 60 R 8.05 4.07 0.00 2.04 2.18 0.00 3.25 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.88 0.00 61 F 8.27 4.48 0.00 3.03 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 62 I 8.50 4.02 2.02 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.80 1.05 0.00 0.00 63 K 8.52 4.01 0.00 2.23 1.90 0.00 1.53 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.48 7.81 64 W 8.86 3.76 0.00 3.66 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.40 4.29 0.00 3.25 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 66 N 8.35 3.89 0.00 2.91 2.82 0.00 0.00 7.39 6.98 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 67 A 7.51 3.90 0.91 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 0.00 0.00 68 W 8.24 4.03 0.00 3.44 3.22 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 69 N 8.47 3.93 0.00 1.67 2.44 0.00 0.00 6.99 5.12 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 70 E 7.70 3.85 0.00 1.99 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 2.26 2.01 0.00 71 K 7.54 3.91 0.00 1.66 1.55 0.00 1.48 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.40 1.47 7.81 72 R 7.29 3.83 0.00 1.60 1.85 0.00 3.20 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.79 0.00 73 R 8.35 4.06 0.00 1.84 2.16 0.00 3.37 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.63 0.00 74 V 7.07 3.21 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 0.62 0.00 0.00 0.93 0.00 0.00 75 Y 8.60 4.52 0.00 2.91 2.79 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 76 E 7.64 4.48 0.00 1.81 1.78 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 2.13 2.28 0.00 77 E 8.34 4.26 0.00 1.90 1.73 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 2.18 2.26 0.00