# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 M C C 42.28 16.34 16.98 33.18 123.57 -168.39 -112.96 137.81 96.86 3.14 0.00 96.48 0.12 0.01 0.00 0.00 0.00 3.37 0.02 1 Q E E 82.15 8.45 21.03 30.01 118.31 -143.90 -102.30 131.07 8.81 91.18 0.01 9.00 0.12 0.01 0.00 0.00 0.00 90.62 0.24 2 I E E 11.72 21.82 15.06 37.11 124.22 -166.36 -119.69 136.12 1.44 98.56 0.00 1.39 0.05 0.00 0.00 0.00 0.00 98.53 0.02 3 F E E 58.29 8.99 24.39 34.38 117.23 -151.63 -105.39 128.80 0.31 99.69 0.00 0.30 0.00 0.00 0.00 0.00 0.00 99.69 0.01 4 V E E 6.04 23.76 16.45 40.63 122.98 -169.14 -117.17 133.88 0.30 99.70 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.73 0.00 5 K E E 80.39 7.71 23.61 31.85 115.77 -144.84 -101.71 124.26 1.56 98.43 0.01 1.38 0.08 0.01 0.00 0.00 0.00 98.44 0.09 6 T C C 13.58 18.42 13.54 32.28 124.27 -150.90 -90.13 166.69 66.72 33.19 0.09 65.30 0.83 0.14 0.02 0.05 0.00 32.70 0.97 7 L C T 88.17 10.16 15.07 26.04 91.57 -99.66 -63.88 -23.21 98.13 1.18 0.69 1.08 6.65 90.47 0.02 0.69 0.00 0.96 0.13 8 T C T 84.50 4.25 15.33 20.63 93.93 58.25 -87.16 -0.27 99.12 0.24 0.64 0.71 6.65 91.78 0.02 0.65 0.00 0.15 0.05 9 G C S 49.18 3.38 15.05 19.54 98.13 -100.88 88.84 4.41 98.86 0.74 0.39 15.27 81.90 1.84 0.03 0.31 0.00 0.45 0.20 10 K C C 99.71 5.57 14.74 22.13 117.98 134.78 -79.63 143.50 96.68 3.30 0.02 95.33 1.47 0.10 0.00 0.01 0.00 2.89 0.19 11 T E E 74.97 9.68 15.09 26.10 123.48 -149.05 -115.54 136.53 1.85 98.15 0.00 1.76 0.06 0.00 0.00 0.00 0.00 98.00 0.17 12 I E E 29.05 15.89 15.73 32.54 124.09 -170.31 -122.55 136.05 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 13 T E E 72.24 8.59 20.49 30.07 120.89 -153.96 -111.42 132.74 0.29 99.71 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.71 0.01 14 L E E 19.60 19.86 15.08 35.00 127.13 -175.51 -127.20 139.60 2.71 97.29 0.00 2.68 0.07 0.01 0.00 0.00 0.00 97.19 0.06 15 E E E 115.52 4.83 24.15 29.83 114.68 -139.83 -97.40 126.52 12.66 87.33 0.01 12.11 0.46 0.03 0.00 0.00 0.00 87.29 0.12 16 V C C 10.99 23.40 12.30 35.38 131.50 174.22 -131.92 150.46 50.29 49.69 0.02 50.42 1.02 0.03 0.00 0.01 0.00 45.96 2.55 17 E C C 99.24 3.87 24.49 27.77 116.37 -123.65 -85.54 142.81 99.02 0.97 0.01 99.06 0.23 0.02 0.00 0.00 0.00 0.59 0.09 18 P C T 47.14 17.95 13.16 30.65 91.21 -115.96 -60.57 -25.13 99.66 0.13 0.21 0.40 2.12 97.22 0.01 0.16 0.00 0.07 0.02 19 S C T 81.97 2.41 20.83 23.37 92.52 58.19 -88.98 -3.62 99.73 0.09 0.18 0.43 1.97 97.37 0.01 0.16 0.00 0.05 0.01 20 D C C 30.98 13.98 14.27 29.66 116.97 116.78 -70.57 143.74 98.51 1.40 0.10 72.80 25.82 0.19 0.02 0.07 0.00 0.72 0.37 21 T E B 45.14 7.03 23.99 31.46 123.14 -127.82 -86.86 160.37 15.52 84.38 0.09 11.78 0.28 0.01 0.08 0.00 0.00 3.85 84.00 22 I H H 10.16 24.47 14.47 39.42 90.54 -112.25 -58.06 -39.40 1.90 0.02 98.08 0.27 0.23 1.31 97.72 0.45 0.01 0.01 0.00 23 E H H 107.73 5.94 22.13 28.90 91.09 55.02 -62.67 -40.52 0.77 0.00 99.23 0.09 0.05 0.53 99.01 0.31 0.00 0.00 0.00 24 N H H 82.97 3.79 24.11 27.56 92.08 48.79 -65.91 -39.98 0.50 0.01 99.50 0.11 0.04 0.30 99.16 0.38 0.00 0.00 0.00 25 V H H 5.38 22.54 17.46 40.26 91.74 50.02 -64.59 -43.40 0.42 0.00 99.58 0.10 0.03 0.22 99.46 0.18 0.00 0.00 0.00 26 K H H 53.16 17.79 19.55 36.17 91.45 52.37 -62.03 -42.69 0.44 0.00 99.55 0.08 0.03 0.26 99.53 0.10 0.00 0.00 0.00 27 A H H 53.95 2.97 22.93 25.19 91.48 51.05 -63.33 -41.81 1.05 0.01 98.95 0.12 0.06 0.76 98.77 0.28 0.00 0.00 0.00 28 K H H 89.02 5.85 21.73 27.91 92.10 49.33 -66.05 -40.72 2.77 0.02 97.22 0.27 0.17 2.18 96.87 0.49 0.00 0.01 0.00 29 I H H 8.44 20.75 13.92 35.08 92.18 49.00 -65.68 -41.76 5.80 0.10 94.10 0.92 0.71 4.06 93.48 0.73 0.02 0.04 0.03 30 Q H H 74.45 10.75 15.36 26.65 92.39 52.23 -64.41 -39.59 17.37 0.41 82.22 4.73 2.21 10.42 80.92 1.30 0.05 0.19 0.18 31 D H H 117.35 1.06 17.38 17.17 93.26 49.15 -69.57 -32.07 34.19 0.35 65.46 6.38 4.24 23.24 63.87 1.89 0.06 0.16 0.17 32 K H H 119.50 5.27 14.46 20.89 98.02 48.91 -81.07 -27.94 49.60 0.51 49.89 5.52 11.32 32.46 47.49 2.59 0.10 0.17 0.35 33 E C T 98.82 8.11 13.76 22.60 101.16 27.02 -97.06 -2.31 62.94 0.58 36.48 5.81 14.73 41.35 34.77 2.62 0.08 0.19 0.46 34 G C C 57.34 1.94 18.06 19.91 96.10 -111.06 76.98 14.52 99.39 0.16 0.45 44.20 13.91 41.35 0.14 0.24 0.00 0.07 0.09 35 I C C 26.35 17.39 9.57 27.06 115.93 144.79 -91.02 131.51 99.40 0.57 0.02 89.68 9.54 0.07 0.01 0.01 0.00 0.13 0.56 36 P C C 59.76 3.89 20.69 24.81 112.43 -111.02 -65.59 144.23 99.93 0.05 0.02 99.72 0.22 0.02 0.00 0.00 0.00 0.02 0.02 37 P H G 58.90 15.87 11.98 27.34 92.00 -118.41 -58.50 -34.93 11.00 0.09 88.91 1.28 0.97 6.35 0.46 90.88 0.00 0.06 0.00 38 D H G 113.75 2.27 18.95 21.70 90.88 61.59 -71.10 -13.73 11.01 0.14 88.85 0.66 0.89 7.52 0.42 90.41 0.00 0.09 0.00 39 Q H G 82.84 8.65 18.03 27.60 97.11 56.48 -95.84 0.46 11.18 0.48 88.34 2.18 1.58 5.38 0.45 90.01 0.00 0.38 0.02 40 Q C E 24.40 21.44 13.96 34.93 120.19 95.33 -98.20 138.08 50.65 48.64 0.72 44.18 6.54 0.45 0.20 0.53 0.00 46.47 1.63 41 R E E 93.45 9.36 26.08 35.78 129.41 -172.28 -128.89 141.45 7.38 92.56 0.06 7.53 0.22 0.03 0.02 0.02 0.00 91.54 0.64 42 L E E 6.20 24.77 17.88 43.19 116.04 -140.91 -99.79 128.73 2.12 97.86 0.02 1.78 0.19 0.01 0.00 0.01 0.00 97.98 0.04 43 I E E 32.57 11.42 23.97 36.51 124.99 -169.82 -119.66 137.31 0.81 99.17 0.02 0.67 0.08 0.01 0.00 0.01 0.00 99.18 0.04 44 F E E 26.72 19.80 15.14 34.70 120.21 -170.38 -125.08 123.52 1.53 98.42 0.05 0.98 0.40 0.15 0.01 0.03 0.00 97.99 0.44 45 A C T 58.82 9.85 15.90 26.81 93.55 -18.38 54.20 42.43 99.35 0.43 0.22 0.27 2.07 97.22 0.01 0.14 0.00 0.27 0.02 46 G C T 60.77 1.97 16.30 18.62 95.13 -48.05 80.57 2.92 99.78 0.10 0.13 0.33 2.49 97.00 0.00 0.10 0.00 0.07 0.01 47 K E E 117.91 3.84 15.94 21.59 123.72 105.76 -110.03 140.88 3.22 96.76 0.02 1.88 1.13 0.15 0.01 0.01 0.00 96.02 0.80 48 Q E E 113.88 5.76 16.96 24.45 114.19 -119.53 -77.61 133.18 4.61 95.37 0.01 4.05 0.35 0.03 0.01 0.01 0.00 94.77 0.78 49 L C C 18.34 22.15 9.02 30.15 115.95 -124.12 -82.47 136.85 76.66 23.31 0.03 75.98 0.83 0.07 0.00 0.02 0.00 22.52 0.59 50 E C C 127.60 2.45 21.04 23.17 119.34 -140.82 -95.33 143.33 98.84 1.10 0.06 97.97 0.88 0.20 0.01 0.03 0.00 0.59 0.31 51 D C T 98.69 7.52 14.03 22.91 108.00 -86.22 -60.95 131.38 99.30 0.25 0.45 0.99 3.69 94.69 0.06 0.35 0.00 0.13 0.10 52 G C T 51.71 3.69 17.78 22.23 95.98 20.20 87.00 -2.33 99.56 0.12 0.31 1.60 3.24 94.74 0.03 0.29 0.00 0.08 0.02 53 R C C 84.44 9.50 15.49 26.44 119.67 127.01 -80.06 146.78 95.80 4.08 0.12 76.55 19.30 0.30 0.03 0.10 0.00 2.50 1.22 54 T E B 37.98 8.96 20.90 30.90 123.22 -131.74 -90.97 157.43 17.53 82.37 0.10 12.99 0.54 0.03 0.07 0.01 0.00 6.61 79.75 55 L H G 9.50 24.67 12.83 37.81 91.18 -111.66 -59.60 -35.66 30.28 0.68 69.04 2.36 3.19 24.22 5.19 64.39 0.00 0.44 0.19 56 S H G 65.98 7.02 18.28 26.37 91.20 60.33 -65.21 -31.56 22.67 0.11 77.21 0.73 1.27 19.73 5.96 72.20 0.00 0.08 0.03 57 D H G 101.87 2.69 19.25 22.09 91.70 56.62 -72.42 -22.31 19.83 0.11 80.06 0.96 1.65 16.47 7.56 73.27 0.00 0.06 0.04 58 Y C G 48.94 17.51 12.71 29.75 99.53 53.65 -98.29 5.49 54.84 0.63 44.53 5.38 15.40 33.34 7.79 37.23 0.02 0.30 0.53 59 N C T 117.13 2.54 22.60 25.07 95.27 -122.24 58.73 42.76 95.44 1.79 2.77 26.60 6.46 62.80 0.65 1.87 0.00 1.07 0.55 60 I C C 12.68 24.72 8.79 32.51 115.33 174.12 -83.56 133.26 90.63 8.94 0.43 88.67 1.85 0.27 0.21 0.13 0.00 3.46 5.41 61 Q C C 101.23 3.35 22.42 25.57 126.17 -159.83 -109.92 160.03 95.27 4.21 0.51 94.00 1.12 0.50 0.16 0.20 0.00 2.29 1.74 62 K C T 126.56 7.64 15.82 24.46 102.77 -91.19 -63.00 57.84 93.35 3.38 3.27 2.50 12.17 79.12 0.34 2.70 0.00 2.75 0.43 63 E C T 134.21 3.44 19.40 23.24 96.20 28.20 -14.88 8.09 93.50 3.37 3.13 3.71 10.29 79.06 0.23 2.99 0.00 3.54 0.19 64 S C C 20.40 15.52 14.08 30.33 117.81 131.00 -77.07 148.52 91.16 7.71 1.14 74.09 15.30 1.32 0.13 1.18 0.00 7.44 0.54 65 T E E 51.05 9.89 23.38 33.79 120.62 -137.34 -110.45 134.31 17.34 82.53 0.13 16.43 0.93 0.15 0.04 0.09 0.00 81.60 0.76 66 L E E 6.85 24.78 17.25 42.35 123.25 -165.47 -117.05 134.67 1.94 98.02 0.03 1.91 0.10 0.02 0.01 0.02 0.00 97.84 0.10 67 H E E 56.86 10.81 26.44 37.83 117.95 -154.97 -107.62 127.22 1.11 98.85 0.04 1.08 0.05 0.01 0.01 0.02 0.00 98.80 0.02 68 L E E 8.04 24.36 18.44 43.04 119.54 -162.35 -109.11 129.00 1.26 98.70 0.04 1.25 0.05 0.01 0.01 0.02 0.00 98.64 0.03 69 V E E 37.36 10.61 25.03 36.51 119.97 -164.92 -115.03 127.95 2.30 97.68 0.02 2.22 0.09 0.01 0.01 0.01 0.00 97.60 0.07 70 L E E 23.70 20.61 17.01 37.35 120.73 -161.53 -109.99 132.22 6.53 93.42 0.05 6.23 0.29 0.04 0.01 0.02 0.00 93.21 0.19 71 R E E 106.80 7.76 21.12 29.55 118.78 -156.79 -105.31 129.64 19.00 80.82 0.18 17.27 1.23 0.23 0.05 0.10 0.00 80.71 0.41 72 L E E 63.04 14.62 12.35 26.93 116.49 -147.29 -91.25 132.46 47.24 52.10 0.67 40.33 4.65 1.39 0.18 0.48 0.00 51.63 1.34 73 R C C 145.90 4.48 13.33 19.45 117.01 -153.46 -100.76 135.62 68.38 30.49 1.12 48.77 11.82 7.56 0.25 0.99 0.00 28.50 2.11 74 G C C 56.86 2.47 12.59 16.32 114.31 -2.68 90.87 165.50 89.40 10.04 0.56 70.92 7.59 10.40 0.10 0.46 0.00 9.54 0.99 75 G C C 52.46 3.21 13.96 18.49 112.06 14.18 86.08 -51.07 99.76 0.23 0.01 99.44 0.26 0.10 0.00 0.00 0.00 0.18 0.02