# 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 90.57 8.93 15.63 25.32 118.84 -166.04 -104.43 134.12 99.86 0.14 0.00 99.83 0.07 0.01 0.00 0.00 0.00 0.07 0.01 1 I C C 89.09 9.34 14.85 25.08 116.08 -145.82 -97.88 128.39 83.94 15.98 0.09 85.24 0.90 0.16 0.03 0.03 0.00 8.30 5.33 2 I C C 51.30 12.80 15.28 29.08 117.99 -160.81 -109.23 125.58 85.84 14.14 0.02 78.96 7.67 0.08 0.01 0.02 0.00 11.74 1.52 3 P C C 44.54 10.70 19.78 31.49 114.56 -117.50 -69.61 143.29 85.10 14.87 0.03 83.00 2.07 0.08 0.01 0.02 0.00 14.03 0.80 4 I C C 28.58 19.49 17.13 36.22 115.82 -159.31 -106.22 124.11 50.88 49.09 0.03 46.32 4.45 0.11 0.01 0.03 0.00 45.34 3.75 5 R E B 99.61 8.43 22.89 31.65 123.97 -149.11 -114.77 137.74 8.29 91.69 0.02 8.41 0.26 0.01 0.04 0.00 0.00 45.42 45.86 6 C C C 12.60 18.93 13.46 33.29 109.91 -115.19 -73.72 126.02 74.60 25.37 0.03 77.04 0.48 0.04 0.01 0.01 0.00 19.33 3.09 7 F C T 96.05 9.38 16.99 27.63 93.07 -146.42 -67.36 -27.49 99.74 0.08 0.17 0.18 2.15 97.47 0.00 0.13 0.00 0.04 0.02 8 S C T 68.83 5.62 16.93 23.31 98.21 44.50 -80.96 -39.53 99.82 0.03 0.15 0.04 1.13 98.71 0.00 0.10 0.00 0.01 0.01 9 C C T 70.11 4.81 15.64 21.56 101.84 18.77 -108.48 -13.31 99.82 0.03 0.15 0.16 1.80 97.89 0.00 0.13 0.00 0.01 0.00 10 G C C 38.69 7.82 13.92 23.15 95.60 -122.54 79.58 6.33 99.60 0.27 0.12 87.42 6.53 5.65 0.03 0.08 0.00 0.13 0.17 11 K C C 101.80 4.92 18.39 24.70 117.94 141.41 -77.20 143.27 92.82 7.06 0.12 87.60 5.39 0.23 0.05 0.06 0.00 4.63 2.05 12 V E B 64.31 12.56 16.96 29.84 110.61 -113.09 -76.16 128.90 3.70 96.24 0.06 3.38 0.16 0.02 0.09 0.01 0.00 29.25 67.09 13 I C C 31.21 17.50 16.12 33.66 103.91 174.70 -101.20 -15.59 65.58 29.51 4.91 56.54 6.02 2.68 2.02 2.45 0.00 28.27 2.01 14 G C G 20.59 13.82 17.73 31.21 114.95 72.28 -56.10 -120.69 49.14 6.53 44.33 19.22 15.86 16.11 17.19 25.31 0.13 4.80 1.37 15 D H G 111.30 2.60 21.17 23.55 95.47 2.04 -77.65 -4.39 44.39 1.73 53.89 8.58 8.97 26.63 25.44 28.54 0.15 1.01 0.68 16 K H H 66.15 13.18 16.68 30.12 95.74 60.75 -89.74 -0.56 37.47 0.76 61.77 8.67 4.15 23.34 36.85 26.16 0.07 0.42 0.33 17 W H H 36.73 21.05 14.23 34.73 92.59 94.26 -59.92 -42.38 2.47 0.01 97.52 0.91 0.34 1.14 96.24 1.36 0.00 0.01 0.00 18 D H H 90.96 3.53 21.68 25.52 91.48 52.33 -63.76 -40.23 0.63 0.00 99.37 0.12 0.04 0.36 99.14 0.34 0.00 0.00 0.00 19 T H H 66.31 4.14 22.17 26.21 91.67 49.87 -65.12 -41.49 0.32 0.00 99.68 0.04 0.02 0.20 99.52 0.22 0.00 0.00 0.00 20 Y H H 15.90 20.08 16.37 36.60 91.99 49.80 -64.35 -43.18 0.14 0.00 99.86 0.01 0.01 0.09 99.83 0.06 0.00 0.00 0.00 21 L H H 37.20 13.25 18.73 32.67 91.45 51.15 -62.89 -41.83 0.10 0.00 99.90 0.01 0.00 0.07 99.88 0.04 0.00 0.00 0.00 22 T H H 74.34 1.98 22.52 22.68 91.45 50.21 -63.80 -41.41 0.21 0.00 99.79 0.01 0.01 0.17 99.73 0.08 0.00 0.00 0.00 23 L H H 28.24 9.63 16.03 28.01 91.42 50.53 -64.07 -41.73 0.49 0.00 99.51 0.03 0.02 0.37 99.37 0.20 0.00 0.00 0.00 24 L H H 33.40 15.89 12.60 28.63 92.32 50.95 -65.43 -39.42 2.29 0.00 97.71 0.18 0.12 1.81 97.39 0.49 0.00 0.00 0.00 25 Q H H 129.59 2.57 15.81 19.39 90.97 54.40 -66.39 -29.50 15.07 0.02 84.92 0.52 0.62 13.93 84.31 0.59 0.01 0.00 0.01 26 E C T 126.03 2.30 14.00 16.68 96.82 56.25 -85.88 -0.21 88.90 0.03 11.08 0.86 4.28 82.48 11.74 0.60 0.00 0.01 0.03 27 D C T 128.16 1.25 14.97 16.41 96.52 -109.06 60.02 34.21 99.52 0.01 0.47 5.28 3.12 91.23 0.27 0.08 0.00 0.00 0.01 28 N C C 55.97 10.34 9.13 20.71 119.07 159.73 -84.69 149.46 99.52 0.33 0.14 97.04 2.34 0.15 0.08 0.03 0.00 0.09 0.27 29 T C C 82.83 2.07 19.90 20.62 118.95 -110.53 -78.41 159.31 99.19 0.33 0.47 98.34 0.76 0.20 0.34 0.04 0.00 0.08 0.24 30 E H H 95.85 13.33 13.31 26.46 92.63 -106.48 -58.57 -38.95 5.61 0.02 94.38 0.59 0.64 4.21 92.52 2.00 0.01 0.01 0.01 31 G H H 32.75 6.33 17.34 24.83 92.10 51.69 -62.28 -41.30 5.08 0.01 94.91 0.50 0.39 4.04 92.62 2.43 0.01 0.01 0.01 32 E H H 98.34 2.71 21.29 23.11 91.79 49.77 -66.24 -40.64 1.46 0.01 98.52 0.38 0.15 0.88 96.91 1.67 0.00 0.01 0.00 33 A H H 7.12 16.52 14.86 32.81 91.61 51.53 -63.10 -43.89 0.38 0.00 99.62 0.08 0.03 0.20 99.40 0.28 0.00 0.00 0.00 34 L H H 19.61 17.93 15.46 33.60 91.98 49.93 -63.65 -42.29 0.31 0.00 99.68 0.04 0.02 0.19 99.31 0.44 0.00 0.00 0.00 35 D H H 96.72 2.57 19.77 22.29 91.77 49.95 -64.35 -41.01 0.56 0.00 99.44 0.04 0.02 0.42 99.01 0.51 0.00 0.00 0.00 36 K H H 127.91 3.76 18.54 23.09 91.24 50.94 -65.97 -34.27 4.73 0.00 95.27 0.07 0.09 4.79 94.40 0.65 0.00 0.00 0.00 37 L C T 29.25 17.71 13.32 31.24 93.05 49.35 -85.12 -7.81 67.65 0.01 32.34 0.24 0.74 67.14 31.17 0.70 0.00 0.00 0.01 38 G C T 47.43 3.08 22.33 25.19 95.91 -116.38 75.74 21.87 99.68 0.00 0.32 1.76 0.75 97.30 0.15 0.04 0.00 0.00 0.00 39 L C C 21.98 20.69 9.39 29.22 109.25 151.27 -87.38 114.98 98.40 0.39 1.21 97.05 0.93 0.79 0.52 0.30 0.00 0.13 0.28 40 Q C C 126.15 2.88 19.25 22.77 100.20 164.94 -96.60 -18.28 96.37 0.62 3.01 79.80 12.18 4.41 1.75 1.08 0.00 0.23 0.55 41 R C S 101.48 8.31 15.55 25.13 115.93 81.98 -90.82 133.88 86.57 4.57 8.87 34.67 45.56 5.88 6.84 1.78 0.02 1.15 4.10 42 Y H H 115.27 8.69 16.59 26.28 94.54 -135.35 -63.32 -36.27 31.60 3.94 64.46 6.86 11.24 16.11 51.26 7.69 2.67 1.27 2.89 43 C H H 48.90 9.24 18.20 28.28 92.78 53.27 -65.46 -37.73 26.37 1.19 72.44 3.31 4.64 18.64 61.37 9.94 0.81 0.65 0.63 44 C H H 18.71 16.78 16.37 33.41 93.51 48.84 -70.13 -37.22 19.01 2.37 78.62 4.44 3.74 11.74 65.12 11.72 0.89 1.45 0.90 45 R H H 74.92 13.50 17.29 30.71 92.73 56.07 -64.33 -40.34 12.35 2.05 85.61 4.89 2.63 6.28 75.15 8.75 0.23 1.55 0.51 46 R H H 114.19 6.63 20.14 27.32 92.86 52.49 -66.80 -38.25 14.11 1.62 84.27 3.40 2.36 8.92 74.33 8.95 0.37 1.29 0.39 47 M H H 61.86 11.98 18.28 30.47 94.73 48.73 -72.87 -38.34 18.71 1.85 79.44 3.79 3.12 12.49 70.40 7.79 0.56 1.32 0.53 48 I H H 40.96 16.56 16.61 32.66 97.85 44.00 -80.24 -35.17 29.37 3.55 67.07 5.59 5.44 19.86 59.62 5.48 0.64 2.33 1.03 49 L H H 79.49 8.89 17.69 27.03 99.07 44.95 -87.08 -20.28 42.66 9.01 48.33 15.76 10.25 18.74 42.40 4.20 0.51 5.71 2.44 50 T C C 64.24 7.50 15.60 24.21 108.66 66.25 -91.17 61.63 61.43 11.32 27.25 33.97 13.71 13.57 24.87 3.56 0.14 7.57 2.61 51 H C C 86.40 8.63 13.99 23.83 104.74 97.10 -85.48 58.93 70.36 8.34 21.29 57.36 5.12 6.34 20.78 2.47 0.01 5.46 2.47 52 V H H 70.75 7.50 14.12 23.02 95.92 131.86 -66.68 -35.88 28.99 1.45 69.56 19.09 4.43 6.31 66.30 2.61 0.02 0.87 0.37 53 D H H 86.89 3.22 16.04 19.79 94.10 55.37 -67.25 -36.97 16.57 0.57 82.86 8.58 2.48 6.15 79.70 2.58 0.01 0.34 0.15 54 L H H 72.11 5.97 14.00 21.54 93.81 53.01 -66.48 -39.87 7.64 0.28 92.08 3.66 1.23 3.26 88.50 3.08 0.01 0.18 0.08 55 I H H 69.00 6.62 13.30 21.63 92.67 51.06 -65.18 -41.01 3.64 0.14 96.22 1.70 0.58 1.60 93.59 2.38 0.01 0.10 0.03 56 E H H 102.52 3.20 14.64 18.73 92.44 51.07 -65.05 -40.06 3.26 0.09 96.65 1.18 0.45 1.72 93.47 3.07 0.01 0.07 0.02 57 K H H 116.42 3.16 14.19 18.20 92.82 50.49 -66.67 -38.89 4.60 0.08 95.31 1.08 0.51 3.02 91.63 3.68 0.02 0.05 0.03 58 L H H 85.60 5.35 12.71 19.49 93.46 50.70 -68.39 -35.49 7.14 0.07 92.79 1.10 0.72 5.17 89.12 3.81 0.02 0.04 0.03 59 L H H 99.10 4.00 12.71 18.04 95.52 54.36 -73.87 -25.24 28.11 0.38 71.51 4.10 3.23 20.82 66.25 5.11 0.11 0.18 0.20 60 C C T 85.60 3.05 12.95 16.95 99.59 56.30 -85.13 -4.67 59.42 0.56 40.02 13.28 5.82 39.80 35.32 5.17 0.02 0.25 0.34 61 Y C C 123.00 6.42 9.96 17.98 107.82 98.18 -85.11 83.93 74.00 1.24 24.77 38.04 20.28 15.51 20.83 4.00 0.01 0.40 0.92 62 N C C 82.64 4.88 11.41 18.02 110.52 133.70 -96.04 106.16 86.71 0.54 12.75 69.53 12.31 3.90 12.09 1.59 0.00 0.18 0.39 63 P H H 82.17 4.36 11.27 17.51 95.77 -162.08 -64.47 -29.93 40.48 0.45 59.06 16.85 6.53 17.59 47.07 11.46 0.02 0.22 0.25 64 L H H 106.34 2.40 11.69 15.06 94.90 56.59 -68.80 -33.26 32.87 0.57 66.56 11.28 5.95 16.06 53.49 12.58 0.07 0.30 0.28 65 S H H 58.49 3.88 10.11 15.75 95.11 56.62 -69.96 -30.31 30.86 0.98 68.16 16.48 5.68 9.52 54.07 13.30 0.03 0.53 0.38 66 K H H 121.57 3.87 9.67 15.13 97.15 62.09 -74.94 -22.97 34.24 1.23 64.54 20.36 6.50 9.14 54.39 8.45 0.03 0.64 0.49 67 Q H H 124.88 2.35 9.71 13.38 100.80 63.91 -79.92 -12.08 41.25 1.39 57.35 23.57 7.80 11.57 48.76 6.97 0.03 0.70 0.60 68 K C H 144.21 2.18 8.97 12.57 103.75 73.00 -82.48 18.08 55.84 1.24 42.93 26.11 12.13 18.97 34.85 6.71 0.04 0.56 0.63 69 N C C 121.66 2.01 9.33 12.66 105.34 67.92 -85.15 59.21 75.25 0.75 23.99 52.28 2.15 20.97 19.85 3.93 0.00 0.38 0.44 70 L C C 107.31 5.04 9.42 16.06 101.45 142.62 -81.49 3.94 99.89 0.03 0.08 99.71 0.10 0.12 0.04 0.00 0.00 0.01 0.01