# 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 129.31 3.37 10.51 15.51 116.92 -153.54 -93.93 138.34 99.90 0.09 0.01 99.83 0.08 0.03 0.00 0.00 0.00 0.04 0.01 1 A C C 87.41 2.18 8.06 11.99 112.27 -120.39 -81.31 134.21 94.43 5.19 0.39 91.64 1.86 1.06 0.17 0.14 0.00 2.56 2.57 2 V C C 112.58 2.34 6.81 11.11 117.12 -144.59 -100.04 133.16 93.63 6.00 0.37 67.10 26.31 0.77 0.18 0.18 0.00 2.97 2.49 3 P C C 98.25 2.63 7.78 12.37 114.34 -107.93 -67.34 147.84 94.51 3.59 1.89 85.46 5.96 3.20 0.59 1.14 0.00 2.47 1.17 4 K C C 166.19 1.25 8.29 10.80 113.06 -119.53 -81.71 134.99 88.85 6.00 5.15 70.53 12.17 5.93 1.89 3.19 0.00 3.38 2.90 5 R C C 174.72 2.00 7.46 11.27 116.63 -122.59 -97.55 134.69 85.55 8.57 5.88 66.79 12.72 5.71 2.47 3.46 0.00 5.27 3.57 6 R C C 174.15 1.76 8.08 11.58 117.66 -153.09 -101.86 136.50 84.73 8.96 6.31 67.80 11.83 4.66 3.85 2.57 0.01 5.37 3.91 7 T C C 88.86 3.87 7.71 13.55 117.66 -141.83 -96.40 143.80 88.12 5.97 5.91 72.20 12.43 3.17 4.72 1.54 0.00 3.33 2.61 8 S C C 61.13 3.01 9.00 13.73 117.44 -120.69 -80.00 154.94 86.05 3.26 10.69 73.86 8.99 2.42 10.44 1.20 0.00 1.56 1.53 9 K H H 159.70 1.17 10.12 11.99 93.59 -112.42 -62.97 -34.09 33.41 0.66 65.93 10.12 8.88 15.56 58.92 5.82 0.07 0.34 0.29 10 T H H 93.30 1.34 10.55 12.22 93.70 55.13 -67.71 -38.09 32.64 1.05 66.31 10.17 7.62 16.18 59.10 5.85 0.08 0.63 0.37 11 R H H 129.03 2.78 10.24 14.34 94.70 50.80 -70.57 -35.51 27.00 1.65 71.35 13.85 6.00 9.33 62.02 7.20 0.06 1.03 0.52 12 K H H 117.79 2.98 10.22 14.80 93.42 58.68 -65.02 -39.70 21.91 1.11 76.97 9.87 3.97 9.36 68.81 6.87 0.08 0.70 0.34 13 N H H 111.20 1.42 11.44 13.17 93.72 51.49 -68.60 -30.60 27.37 0.94 71.70 9.76 4.35 13.93 64.14 6.84 0.08 0.60 0.30 14 K H H 135.77 2.04 11.01 13.95 95.14 57.63 -73.55 -24.71 34.48 1.23 64.29 15.05 6.76 13.99 56.64 6.33 0.07 0.67 0.49 15 R H H 144.59 3.46 9.73 14.80 99.93 65.42 -77.30 -16.92 46.74 2.75 50.51 25.50 9.11 13.55 44.35 4.91 0.06 1.35 1.18 16 R C C 155.66 2.63 10.09 14.18 102.67 71.10 -82.32 21.36 62.32 3.87 33.81 40.52 9.52 12.29 29.52 4.51 0.03 1.88 1.73 17 T C C 88.36 3.54 9.50 14.67 105.32 81.54 -87.61 9.48 73.39 2.43 24.17 45.81 12.47 14.54 19.27 5.53 0.01 1.21 1.16 18 H C C 144.56 2.24 10.05 13.48 101.56 64.52 -88.15 -0.16 77.59 2.29 20.11 39.00 19.47 19.58 11.95 7.75 0.02 1.18 1.05 19 F C C 141.61 3.40 9.68 14.78 111.11 85.67 -91.49 119.82 81.65 3.43 14.91 45.54 20.82 15.78 6.91 7.59 0.01 2.00 1.35 20 K C C 146.72 2.64 10.68 15.06 115.38 -157.90 -97.81 129.76 83.09 8.45 8.46 62.63 11.72 8.55 3.59 4.85 0.00 5.98 2.68 21 I C C 97.19 7.54 8.84 17.80 117.08 -153.81 -99.07 131.45 85.22 11.50 3.28 73.87 7.71 3.09 1.60 1.68 0.00 8.02 4.03 22 S C C 86.76 2.15 13.15 16.54 114.73 -149.59 -97.59 129.07 88.46 10.02 1.51 77.00 8.84 1.89 0.72 0.79 0.00 6.63 4.12 23 V C C 78.07 8.53 8.75 18.51 117.85 -160.52 -107.93 124.47 95.77 3.39 0.84 81.99 12.84 1.09 0.24 0.58 0.00 2.16 1.10 24 P C T 99.70 2.80 12.81 16.79 111.65 -121.05 -68.06 142.15 96.45 2.20 1.35 32.70 12.20 51.56 0.16 1.28 0.00 1.69 0.40 25 G C T 49.49 3.77 14.44 18.90 103.97 14.53 83.98 0.23 94.04 5.01 0.96 25.27 15.61 53.07 0.07 1.05 0.00 4.59 0.34 26 M C C 82.15 11.42 10.52 22.48 121.40 126.82 -96.74 139.90 62.99 36.85 0.16 59.19 2.72 0.25 0.02 0.14 0.00 36.82 0.86 27 T E E 58.79 6.93 15.96 24.55 129.02 -174.21 -125.99 149.79 7.81 92.15 0.04 7.40 0.49 0.04 0.01 0.02 0.00 91.24 0.79 28 E E E 121.09 4.59 16.85 22.86 115.47 -111.96 -83.10 135.76 3.77 96.21 0.02 3.74 0.13 0.01 0.02 0.01 0.00 87.61 8.49 29 C C C 17.08 16.83 7.83 24.79 109.36 -116.38 -72.99 124.56 94.51 5.47 0.02 94.90 0.39 0.06 0.00 0.01 0.00 4.25 0.39 30 P C T 109.31 1.63 15.20 17.03 92.75 -145.21 -67.18 -24.95 99.73 0.10 0.17 1.00 8.69 90.02 0.00 0.19 0.00 0.08 0.02 31 N C T 116.48 2.04 13.26 15.96 99.29 44.04 -82.30 -36.48 99.79 0.05 0.16 0.09 3.46 96.30 0.00 0.12 0.00 0.02 0.01 32 C C T 67.73 4.60 11.85 18.04 103.46 18.70 -108.99 -14.04 99.77 0.09 0.14 0.47 5.24 94.08 0.00 0.14 0.00 0.05 0.02 33 G C C 48.13 3.58 13.15 18.36 95.33 -120.61 80.42 6.08 99.23 0.72 0.04 87.61 9.47 2.16 0.01 0.04 0.00 0.38 0.34 34 E C C 87.71 4.99 13.97 20.91 119.43 136.04 -78.97 147.24 96.01 3.99 0.01 94.00 2.48 0.04 0.00 0.01 0.00 3.13 0.34 35 Y E E 124.76 7.13 16.32 24.70 114.59 -114.46 -81.08 135.85 1.85 98.15 0.00 1.86 0.07 0.00 0.00 0.00 0.00 95.31 2.76 36 K E E 56.64 13.34 13.39 27.51 132.27 171.50 -134.91 155.19 3.48 96.51 0.00 3.47 0.14 0.01 0.00 0.00 0.00 95.61 0.77 37 L C C 69.81 6.73 18.13 25.89 117.36 -104.03 -73.15 149.72 54.38 45.36 0.26 51.68 1.97 0.41 0.03 0.29 0.00 44.26 1.38 38 S C T 51.03 10.54 16.03 27.13 104.32 -91.99 -61.67 144.34 95.84 2.63 1.53 3.76 13.51 78.25 0.05 1.86 0.00 2.19 0.36 39 H C T 108.72 8.58 18.15 27.02 95.51 16.70 73.52 9.50 96.02 2.57 1.41 4.36 12.63 78.49 0.04 1.83 0.00 2.42 0.22 40 R C C 97.98 8.54 19.54 28.79 126.75 97.69 -115.19 146.70 59.44 39.85 0.70 36.46 22.25 2.67 0.11 0.77 0.00 33.96 3.78 41 V E B 43.03 13.31 16.49 30.63 120.82 -135.07 -105.05 137.68 10.79 89.16 0.06 10.08 0.57 0.03 0.05 0.02 0.00 36.40 52.84 42 C C C 18.96 14.58 13.37 29.40 111.68 -111.64 -72.88 138.18 79.94 20.00 0.06 80.73 0.70 0.08 0.02 0.03 0.00 16.12 2.32 43 K C T 138.93 4.53 16.26 22.33 92.73 -133.50 -64.09 -27.96 98.40 0.81 0.79 0.48 3.56 94.42 0.02 0.84 0.00 0.57 0.11 44 N C T 120.01 1.62 17.63 18.74 96.84 50.10 -79.81 -30.40 99.04 0.21 0.75 0.12 2.07 96.93 0.01 0.73 0.00 0.11 0.04 45 C C T 54.71 7.67 14.87 23.90 103.53 23.35 -108.68 -13.11 99.09 0.42 0.49 1.36 6.49 91.09 0.01 0.67 0.00 0.31 0.06 46 G C C 19.64 10.63 15.19 27.32 100.32 -116.52 83.52 6.85 78.64 21.25 0.11 74.06 3.07 0.99 0.03 0.07 0.00 20.51 1.27 47 S E E 33.57 8.66 16.86 27.20 126.53 130.91 -116.10 153.25 5.01 94.96 0.03 4.86 0.23 0.02 0.01 0.01 0.00 89.20 5.66 48 Y E E 62.26 14.36 12.18 27.15 123.32 -168.79 -133.82 128.26 6.32 93.55 0.13 3.97 1.52 1.01 0.04 0.10 0.00 89.62 3.74 49 N C T 123.06 2.72 15.07 18.88 92.44 -12.45 54.15 40.69 99.47 0.33 0.19 0.47 3.44 95.63 0.01 0.16 0.00 0.25 0.04 50 G C T 61.02 1.75 13.82 16.08 94.15 -52.10 79.59 3.40 99.69 0.13 0.18 0.61 4.41 94.69 0.01 0.18 0.00 0.09 0.02 51 E E E 114.84 3.25 13.85 18.81 121.61 112.06 -105.75 140.84 10.88 88.98 0.14 6.22 4.70 0.83 0.05 0.10 0.00 84.51 3.60 52 E E E 113.20 5.78 14.11 21.61 109.90 -111.40 -73.30 127.01 11.49 88.41 0.09 10.60 0.61 0.09 0.05 0.04 0.00 84.47 4.13 53 V C C 51.05 12.00 12.56 25.41 100.90 -161.10 -93.85 -21.52 68.62 30.25 1.13 55.97 9.28 2.38 0.33 0.82 0.00 29.78 1.45 54 V C C 59.89 10.43 10.97 22.35 125.04 42.67 -124.35 139.38 70.89 26.06 3.05 46.67 17.24 7.55 0.87 2.24 0.01 21.64 3.79 55 S C C 81.42 2.76 11.86 16.29 116.81 -150.10 -100.83 137.04 83.51 14.60 1.89 75.88 3.52 3.90 0.50 1.32 0.00 12.72 2.15 56 K C C 151.27 3.34 12.22 17.40 108.34 -109.82 -75.97 119.43 99.77 0.21 0.02 99.61 0.17 0.06 0.01 0.00 0.00 0.12 0.02