# 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 P C C 72.92 8.44 13.68 23.25 112.99 -112.47 -70.43 142.63 99.89 0.03 0.08 99.77 0.08 0.08 0.05 0.00 0.00 0.01 0.00 1 R C C 142.71 5.58 12.64 19.93 112.08 -135.65 -86.79 135.53 80.92 3.87 15.21 74.44 1.95 4.57 13.49 1.87 0.00 1.94 1.75 2 K C C 129.07 4.68 13.94 20.08 110.86 -122.34 -83.69 124.60 72.18 6.73 21.09 57.54 8.19 5.33 19.55 2.99 0.00 3.73 2.66 3 I C C 56.34 14.74 9.98 24.20 107.50 -160.49 -90.41 81.20 52.65 2.79 44.55 46.19 3.81 3.56 40.42 3.58 0.00 1.80 0.64 4 E H H 119.38 3.23 16.82 20.62 96.76 100.17 -71.71 -34.43 37.55 1.81 60.64 29.68 4.29 4.57 56.46 3.45 0.00 1.15 0.39 5 E H H 94.29 5.77 17.69 24.12 100.33 52.42 -75.59 -30.56 26.06 1.37 72.57 19.90 3.20 4.43 67.71 3.57 0.00 0.87 0.31 6 I H H 23.39 20.36 13.45 33.12 93.62 53.95 -65.58 -39.96 6.99 0.25 92.76 4.56 1.06 1.89 90.11 2.17 0.00 0.15 0.06 7 K H H 101.00 8.54 18.88 27.96 91.97 54.84 -62.75 -40.52 3.98 0.13 95.89 1.88 0.53 1.66 94.03 1.77 0.01 0.09 0.03 8 D H H 82.24 2.88 22.33 24.34 91.98 50.54 -65.58 -40.02 3.68 0.12 96.21 1.34 0.42 1.89 94.54 1.68 0.01 0.08 0.03 9 F H H 25.98 17.12 17.99 35.29 92.29 51.06 -64.78 -42.74 2.33 0.06 97.61 0.70 0.26 1.30 96.06 1.62 0.01 0.04 0.01 10 L H H 23.99 19.50 17.87 36.97 92.01 50.50 -63.75 -41.31 1.96 0.07 97.97 0.55 0.20 1.13 95.67 2.38 0.01 0.05 0.02 11 L H H 86.33 4.05 22.96 26.83 92.07 50.37 -65.34 -40.00 3.80 0.12 96.08 0.74 0.35 2.63 93.35 2.80 0.02 0.08 0.03 12 T H H 52.12 7.34 20.66 28.67 92.15 50.65 -67.21 -36.87 9.56 0.19 90.25 1.11 0.91 7.60 87.60 2.54 0.07 0.10 0.08 13 A H H 9.12 21.23 12.87 33.97 93.46 59.61 -69.56 -24.62 36.11 0.65 63.24 8.57 4.67 23.33 59.58 3.12 0.08 0.29 0.35 14 R C T 133.16 8.03 18.39 27.10 93.83 66.68 -73.96 -13.36 66.70 1.15 32.16 19.15 8.02 38.83 28.57 4.27 0.03 0.54 0.59 15 R C S 120.84 6.43 14.76 22.57 110.08 85.89 -79.16 124.84 79.69 2.87 17.44 21.41 43.70 14.17 14.42 3.02 0.07 0.93 2.27 16 K C T 151.54 2.83 15.51 19.40 95.79 -115.14 -67.38 -23.87 92.76 0.40 6.85 2.40 9.78 81.48 2.62 3.21 0.01 0.20 0.31 17 D C T 100.89 4.31 16.99 21.84 97.76 45.51 -87.45 3.76 97.55 0.27 2.17 5.19 8.49 84.17 0.51 1.37 0.00 0.16 0.12 18 A C C 18.32 20.16 9.10 28.14 115.29 126.81 -81.67 136.41 86.44 12.11 1.45 80.88 4.76 1.16 0.32 1.11 0.00 10.48 1.30 19 K C C 135.79 3.22 21.24 25.05 99.14 -171.92 -88.87 -27.71 82.11 16.95 0.94 42.93 37.08 2.03 0.23 0.62 0.00 16.52 0.59 20 S E E 37.45 8.28 22.59 31.82 141.96 1.28 -158.11 158.20 23.79 75.40 0.81 17.88 4.77 1.28 0.25 0.54 0.00 74.91 0.38 21 V E E 21.20 23.36 13.34 36.41 130.93 -165.57 -139.45 139.44 4.87 94.70 0.44 4.35 0.37 0.17 0.22 0.15 0.00 94.59 0.15 22 K E E 96.63 6.05 25.23 31.86 123.93 -168.24 -124.51 133.86 2.07 97.64 0.29 1.80 0.13 0.08 0.15 0.07 0.00 97.69 0.07 23 I E E 38.85 20.52 13.53 33.62 119.54 -154.77 -109.38 129.42 3.95 95.80 0.24 3.55 0.24 0.10 0.10 0.09 0.00 95.86 0.07 24 K E E 98.50 5.21 20.61 26.49 123.33 -171.53 -117.97 135.57 7.61 92.13 0.26 6.81 0.55 0.21 0.09 0.13 0.00 92.01 0.20 25 K E E 119.64 9.24 12.08 22.67 118.64 -149.67 -104.51 131.59 21.33 78.34 0.33 17.47 3.43 0.66 0.10 0.22 0.00 77.52 0.60 26 N C C 68.04 4.83 12.24 18.86 129.76 172.17 -126.01 168.50 72.92 26.82 0.26 63.96 5.98 0.90 0.05 0.21 0.00 28.05 0.84 27 K C S 175.20 0.86 12.33 12.94 92.84 -96.63 -63.51 -30.27 97.21 1.78 1.01 11.33 48.03 37.92 0.06 1.05 0.00 1.32 0.28 28 D C S 113.34 1.87 13.32 15.52 101.21 27.28 -103.69 -5.59 97.86 1.17 0.96 7.25 49.40 41.17 0.04 1.03 0.00 0.94 0.17 29 N C E 54.66 8.69 14.75 25.00 137.25 22.59 -148.79 157.84 55.08 44.28 0.64 27.66 23.04 5.79 0.06 0.66 0.00 41.80 1.00 30 V E E 24.63 15.86 14.19 31.36 119.15 -134.30 -108.76 131.66 14.75 85.23 0.02 13.62 0.62 0.04 0.00 0.01 0.00 85.50 0.20 31 K E E 59.65 9.96 21.84 32.79 123.71 -168.14 -119.13 136.04 1.90 98.10 0.00 1.66 0.07 0.00 0.00 0.00 0.00 98.24 0.02 32 F E E 14.65 21.13 16.79 38.16 127.46 -171.33 -125.72 143.89 0.25 99.75 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.78 0.00 33 K E E 65.02 9.69 24.49 34.78 120.61 -149.69 -114.37 131.83 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 34 V E E 8.13 22.19 16.28 38.93 122.21 -168.37 -118.39 134.28 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 35 R E E 100.30 7.17 21.76 29.65 116.09 -155.12 -106.23 126.12 2.21 97.79 0.00 1.93 0.13 0.01 0.00 0.00 0.00 97.84 0.08 36 C C C 24.45 14.46 11.71 26.79 130.16 173.22 -124.27 168.57 70.67 29.29 0.04 67.12 1.89 0.13 0.01 0.03 0.00 30.38 0.43 37 S C S 86.21 2.30 15.56 18.30 94.21 -87.79 -64.16 -34.12 99.52 0.32 0.16 1.75 75.15 22.71 0.01 0.13 0.00 0.20 0.05 38 R C S 170.20 2.01 15.10 17.33 102.43 14.26 -105.60 -14.25 99.50 0.37 0.13 1.31 75.64 22.63 0.01 0.11 0.00 0.25 0.05 39 Y E E 93.48 7.38 15.19 24.19 136.19 25.49 -144.25 155.04 32.78 67.18 0.04 25.82 5.86 0.29 0.00 0.04 0.00 67.43 0.55 40 L E E 64.19 12.09 15.96 28.92 119.67 -135.74 -109.43 131.29 2.37 97.63 0.00 2.20 0.08 0.00 0.00 0.00 0.00 97.64 0.07 41 Y E E 37.35 15.24 18.33 34.43 129.09 -173.84 -126.65 146.40 0.66 99.34 0.00 0.59 0.02 0.00 0.00 0.00 0.00 99.39 0.00 42 T E E 38.47 13.04 22.11 35.61 121.29 -150.78 -112.37 132.26 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 43 L E E 10.37 22.26 19.28 41.51 121.07 -164.86 -112.93 130.12 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.93 0.00 44 V E E 39.00 10.58 25.27 36.83 117.13 -154.77 -106.79 125.35 0.21 99.79 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.79 0.01 45 I E E 9.56 22.13 14.11 36.72 117.47 -162.84 -107.29 127.29 10.45 89.55 0.00 10.72 0.13 0.01 0.00 0.00 0.00 88.82 0.31 46 T C S 80.13 5.35 21.18 27.22 98.92 176.12 -98.44 -16.18 97.26 2.72 0.02 18.94 78.02 0.40 0.00 0.01 0.00 2.55 0.08 47 D C C 71.52 5.18 18.03 24.30 112.98 74.17 -103.33 115.15 99.01 0.71 0.28 61.69 36.76 0.73 0.17 0.08 0.00 0.30 0.26 48 K H H 111.32 9.64 13.11 24.03 92.82 -157.44 -62.53 -35.90 1.91 0.00 98.09 0.30 0.27 1.12 97.20 1.11 0.00 0.00 0.00 49 E H H 134.68 1.11 19.83 18.92 91.57 54.52 -63.56 -40.93 0.92 0.00 99.08 0.08 0.07 0.67 97.80 1.38 0.00 0.00 0.00 50 K H H 79.56 7.51 17.98 26.57 92.10 47.49 -66.40 -38.99 0.51 0.00 99.49 0.06 0.03 0.34 98.10 1.46 0.00 0.00 0.00 51 A H H 4.97 21.87 11.75 33.84 90.98 52.60 -62.75 -42.48 0.47 0.00 99.53 0.07 0.03 0.29 99.07 0.56 0.00 0.00 0.00 52 E H H 99.07 3.94 21.51 25.57 91.37 51.03 -63.52 -40.96 0.98 0.00 99.02 0.08 0.04 0.73 98.25 0.91 0.00 0.00 0.00 53 K H H 113.88 2.24 22.42 23.32 91.60 50.47 -64.14 -41.98 0.98 0.00 99.02 0.07 0.04 0.71 97.10 2.08 0.00 0.00 0.00 54 L H H 12.78 19.97 15.04 35.19 91.76 49.75 -64.39 -41.59 0.83 0.00 99.17 0.10 0.04 0.54 96.85 2.47 0.00 0.00 0.00 55 K H H 74.79 16.05 16.52 31.75 91.10 54.33 -62.60 -37.05 2.25 0.01 97.74 0.21 0.13 1.74 93.56 4.35 0.00 0.00 0.00 56 Q H H 140.36 1.22 20.66 20.49 91.30 54.97 -69.94 -24.68 27.77 0.02 72.21 0.36 0.54 27.99 66.71 4.36 0.01 0.01 0.01 57 S C T 63.29 6.35 18.07 25.22 94.87 52.93 -89.79 -6.88 60.60 0.04 39.36 1.07 1.94 57.34 36.17 3.43 0.00 0.01 0.04 58 L C S 23.21 22.34 9.12 30.09 118.76 103.67 -79.68 140.39 99.60 0.31 0.09 13.00 86.50 0.15 0.06 0.01 0.00 0.05 0.24 59 P C C 50.29 7.75 16.54 25.99 116.56 -106.54 -65.20 153.12 99.89 0.07 0.04 98.51 1.16 0.24 0.01 0.02 0.00 0.02 0.04 60 P C T 112.07 2.33 15.95 19.41 109.94 -82.20 -59.77 137.32 99.20 0.10 0.70 0.85 4.20 94.22 0.08 0.56 0.00 0.05 0.05 61 G C T 56.76 2.19 17.27 19.74 95.12 20.91 85.65 -3.44 99.03 0.24 0.73 1.26 3.97 93.80 0.05 0.71 0.00 0.17 0.04 62 L C C 32.40 19.04 9.89 28.28 118.55 121.04 -87.79 136.83 76.53 22.53 0.94 61.01 13.52 1.63 0.11 0.98 0.00 21.40 1.34 63 A E E 55.74 4.94 22.35 27.53 119.58 -148.66 -100.25 137.88 27.52 72.04 0.44 26.13 1.16 0.36 0.10 0.30 0.00 71.22 0.74 64 V E E 46.35 20.42 12.00 31.08 124.36 -162.67 -116.98 136.02 12.60 87.28 0.11 12.01 0.66 0.08 0.04 0.06 0.00 86.77 0.38 65 K E E 105.51 5.26 19.24 25.74 125.91 -173.32 -124.25 142.27 6.71 93.15 0.14 6.00 0.50 0.09 0.04 0.07 0.00 93.04 0.25 66 D E E 92.06 7.13 14.16 22.97 113.43 -122.86 -83.21 129.62 12.01 87.90 0.09 11.45 0.46 0.08 0.03 0.04 0.00 87.33 0.61 67 L C C 72.18 11.45 9.42 21.38 110.19 -153.16 -92.52 117.73 72.65 27.17 0.17 72.18 0.40 0.18 0.04 0.07 0.00 26.54 0.59 68 K C C 157.45 1.96 15.21 17.96 109.37 -136.43 -86.02 118.65 99.68 0.32 0.00 99.63 0.09 0.03 0.00 0.00 0.00 0.25 0.01