# 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 128.01 3.51 10.62 15.75 117.11 -152.27 -93.01 139.10 99.89 0.10 0.01 99.81 0.09 0.03 0.00 0.00 0.00 0.05 0.01 1 A C C 87.69 2.13 8.26 12.10 111.28 -119.17 -81.11 133.37 94.15 5.43 0.42 90.74 2.31 1.18 0.19 0.16 0.00 2.61 2.82 2 V C C 109.29 2.75 6.79 11.55 117.23 -144.81 -98.39 133.62 93.85 5.75 0.40 65.57 28.01 0.80 0.19 0.19 0.00 2.77 2.46 3 P C C 95.67 2.73 8.22 12.84 114.04 -106.99 -66.85 148.46 94.19 3.43 2.37 83.11 7.68 3.47 0.81 1.41 0.00 2.19 1.33 4 K C C 166.98 1.25 8.54 10.99 111.67 -118.09 -77.65 133.75 87.61 5.28 7.11 63.58 16.55 7.24 2.51 4.52 0.00 2.74 2.86 5 R C C 173.86 2.00 7.68 11.42 116.22 -119.20 -96.36 134.67 84.77 7.26 7.96 61.05 16.55 6.95 3.13 4.85 0.01 4.16 3.31 6 R C C 172.51 1.84 8.33 11.94 116.32 -152.78 -96.69 136.39 84.04 7.82 8.14 64.87 13.26 5.37 4.81 3.47 0.01 4.34 3.87 7 T C C 86.11 4.28 7.80 13.97 117.24 -145.43 -96.43 142.11 88.57 4.90 6.53 70.89 13.97 3.36 5.19 1.70 0.00 2.50 2.39 8 S C C 59.85 2.99 9.25 13.91 117.18 -122.10 -81.20 156.54 85.37 2.85 11.78 71.44 10.52 2.48 11.57 1.29 0.00 1.18 1.53 9 K H H 159.29 1.19 10.22 12.11 93.42 -111.36 -63.07 -34.31 29.04 0.59 70.37 8.81 7.79 13.66 64.01 5.11 0.06 0.29 0.26 10 T H H 92.88 1.31 10.64 12.23 93.30 54.69 -67.27 -38.37 28.08 0.91 71.01 8.86 6.31 14.25 64.34 5.31 0.07 0.55 0.31 11 R H H 127.90 2.83 10.37 14.55 93.96 50.40 -69.17 -37.01 21.45 1.33 77.22 11.05 4.68 7.74 68.71 6.52 0.05 0.85 0.38 12 K H H 117.70 2.97 10.47 14.99 93.00 58.09 -64.72 -39.64 17.35 0.93 81.72 7.80 3.22 7.65 74.33 6.07 0.06 0.61 0.27 13 N H H 109.64 1.47 11.66 13.43 93.57 51.93 -69.42 -30.85 22.38 0.82 76.80 7.65 3.49 11.92 70.07 6.00 0.08 0.54 0.25 14 K H H 134.95 2.03 11.25 14.12 95.07 57.65 -73.58 -24.26 29.86 1.04 69.10 12.07 5.72 13.32 62.38 5.48 0.07 0.58 0.40 15 R H H 139.66 3.74 9.76 15.16 99.25 66.49 -76.40 -8.94 44.54 2.21 53.24 23.16 8.83 13.89 47.31 4.73 0.06 1.06 0.96 16 R C C 150.44 2.91 10.06 14.50 101.51 71.51 -79.86 16.54 60.32 3.35 36.33 39.34 8.42 12.61 31.39 5.04 0.03 1.55 1.62 17 T C C 90.25 3.29 9.72 14.62 102.31 75.17 -82.26 -13.00 67.88 1.96 30.16 36.93 11.95 18.78 22.36 8.03 0.02 0.94 0.99 18 H C C 146.02 2.01 10.08 13.10 100.30 61.65 -87.41 -0.07 72.44 1.72 25.84 31.74 16.99 23.96 15.29 10.28 0.02 0.84 0.88 19 F C C 138.62 3.60 9.49 14.83 110.44 81.48 -91.84 114.76 77.90 2.53 19.57 41.17 20.38 16.75 9.50 9.64 0.01 1.33 1.23 20 K C C 150.58 2.25 10.88 14.71 114.62 -150.77 -96.53 126.97 83.53 5.98 10.49 60.95 11.96 10.43 4.86 5.64 0.00 3.93 2.21 21 I C C 97.04 7.52 8.66 17.59 116.26 -156.84 -97.62 131.37 87.31 8.70 3.99 74.80 8.28 3.76 1.99 1.97 0.00 5.62 3.58 22 S C C 87.55 2.04 13.18 16.32 114.50 -152.41 -98.26 127.15 90.49 7.56 1.94 78.08 9.41 2.51 0.92 0.98 0.00 4.63 3.48 23 V C C 78.09 8.46 8.75 18.45 117.43 -160.09 -109.22 126.59 96.78 2.64 0.58 80.48 15.42 1.06 0.21 0.32 0.00 1.49 1.02 24 P C T 100.67 2.68 12.81 16.66 111.54 -118.13 -67.23 142.96 97.27 1.78 0.95 33.96 12.31 51.07 0.13 0.85 0.00 1.34 0.35 25 G C T 49.10 3.83 14.46 19.02 104.20 15.07 83.76 0.37 94.34 4.91 0.75 27.34 15.14 51.86 0.06 0.82 0.00 4.43 0.34 26 M C C 80.44 11.65 10.46 22.59 121.23 127.15 -94.99 140.07 61.97 37.88 0.15 58.45 2.61 0.24 0.02 0.12 0.00 37.65 0.92 27 T E E 58.62 7.06 16.09 24.76 128.20 -173.93 -124.46 149.78 8.66 91.30 0.04 8.16 0.54 0.05 0.01 0.03 0.00 90.29 0.92 28 E E E 120.31 4.70 17.00 23.12 115.41 -112.71 -82.99 135.36 4.47 95.51 0.02 4.41 0.16 0.01 0.02 0.01 0.00 85.39 10.01 29 C C C 16.35 17.05 7.97 25.17 109.18 -115.93 -72.22 124.86 94.84 5.14 0.02 95.24 0.40 0.06 0.00 0.01 0.00 3.90 0.39 30 P C T 108.27 1.73 15.33 17.36 92.66 -145.29 -67.01 -25.09 99.69 0.11 0.20 1.07 8.82 89.77 0.00 0.22 0.00 0.08 0.02 31 N C T 116.13 2.08 13.38 16.11 99.39 44.07 -82.40 -36.88 99.77 0.05 0.18 0.09 3.55 96.19 0.00 0.14 0.00 0.02 0.01 32 C C T 67.47 4.63 11.91 18.14 103.38 19.23 -108.70 -13.97 99.76 0.09 0.16 0.46 5.31 94.00 0.00 0.15 0.00 0.05 0.02 33 G C C 48.18 3.59 13.10 18.35 95.54 -120.99 80.36 6.24 99.25 0.70 0.05 87.26 9.71 2.28 0.01 0.04 0.00 0.37 0.34 34 E C C 88.76 4.87 14.12 20.89 119.53 135.74 -79.48 147.28 96.17 3.82 0.01 93.83 2.77 0.04 0.00 0.01 0.00 3.02 0.33 35 Y E E 124.58 7.31 16.32 24.87 114.66 -112.98 -80.19 135.86 2.23 97.76 0.00 2.23 0.09 0.00 0.00 0.00 0.00 94.71 2.96 36 K E E 54.58 13.42 13.55 27.77 133.83 170.12 -135.95 155.99 3.60 96.40 0.01 3.59 0.13 0.01 0.00 0.00 0.00 95.32 0.95 37 L C E 69.66 6.83 18.44 26.23 117.26 -102.18 -73.11 150.62 49.91 49.77 0.32 46.70 2.25 0.63 0.03 0.41 0.00 48.47 1.51 38 S C T 49.33 11.05 16.03 27.59 107.96 -91.86 -61.43 141.96 96.03 2.43 1.54 4.14 14.44 77.01 0.05 1.99 0.00 2.05 0.33 39 H C T 109.13 8.45 18.49 27.30 95.18 18.96 71.71 10.15 96.46 2.12 1.42 5.05 13.58 77.22 0.04 1.94 0.00 1.96 0.21 40 R C C 98.05 8.48 19.63 28.85 126.39 101.54 -112.59 147.21 64.72 34.61 0.67 41.81 21.34 2.55 0.10 0.77 0.00 29.06 4.36 41 V E B 43.75 13.56 16.62 30.89 120.65 -131.99 -106.05 138.40 14.71 85.20 0.08 12.94 0.80 0.04 0.07 0.02 0.00 29.95 56.16 42 C C C 17.31 15.56 13.24 30.08 110.83 -110.76 -72.18 136.65 83.89 16.05 0.06 84.74 0.76 0.08 0.02 0.03 0.00 11.95 2.42 43 K C T 140.49 4.26 16.55 22.33 92.63 -134.00 -64.64 -27.70 98.49 0.64 0.86 0.52 3.47 94.49 0.02 0.95 0.00 0.44 0.11 44 N C T 117.56 1.88 17.65 19.31 96.70 50.00 -79.69 -30.13 99.08 0.14 0.78 0.10 1.75 97.29 0.01 0.75 0.00 0.07 0.03 45 C C T 52.62 8.15 14.87 24.39 103.31 23.14 -108.55 -13.14 99.29 0.27 0.44 0.94 4.91 93.33 0.01 0.57 0.00 0.20 0.05 46 G C C 19.98 10.30 15.40 27.24 100.46 -116.85 83.71 6.45 85.04 14.88 0.08 80.90 3.26 0.81 0.02 0.05 0.00 13.75 1.20 47 S E E 34.19 8.63 16.93 27.16 127.20 121.82 -115.61 154.57 5.49 94.48 0.02 5.46 0.21 0.02 0.01 0.01 0.00 87.81 6.48 48 Y E E 62.08 14.56 12.09 27.17 122.46 -166.14 -133.21 127.09 5.50 94.37 0.13 3.32 1.37 0.97 0.04 0.10 0.00 89.58 4.62 49 N C T 123.27 2.69 15.01 18.79 92.50 -12.60 54.15 40.90 99.59 0.20 0.21 0.35 2.80 96.51 0.01 0.17 0.00 0.14 0.03 50 G C T 60.95 1.76 13.86 16.10 93.96 -51.85 79.62 3.51 99.70 0.09 0.22 0.48 3.53 95.72 0.01 0.18 0.00 0.06 0.01 51 E E E 111.91 3.49 13.60 18.91 121.71 112.76 -104.04 141.63 8.36 91.47 0.17 4.82 3.51 0.73 0.08 0.11 0.00 85.72 5.03 52 E E E 110.88 5.54 14.19 21.40 110.22 -110.31 -72.27 129.19 10.25 89.57 0.19 9.37 0.64 0.14 0.13 0.08 0.00 84.28 5.37 53 V C C 50.38 12.75 11.71 25.00 100.87 -172.59 -89.13 -24.86 73.74 16.81 9.45 42.95 16.26 14.63 2.19 7.32 0.01 15.35 1.29 54 A C C 51.63 9.11 11.29 21.36 115.97 48.19 -105.30 132.49 73.31 13.87 12.82 29.23 22.66 22.94 2.44 9.81 0.04 10.58 2.31 55 A C C 79.85 3.01 11.08 15.76 112.52 -127.94 -89.47 133.09 80.92 8.79 10.29 65.79 4.28 10.86 2.15 7.76 0.00 7.24 1.91 56 K C C 148.07 3.48 11.65 17.00 108.37 -124.11 -82.85 107.35 99.78 0.13 0.09 99.54 0.18 0.13 0.03 0.01 0.00 0.07 0.03