# 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 A C C 52.43 12.86 14.57 27.27 113.82 -115.41 -70.71 142.18 99.94 0.06 0.00 99.89 0.06 0.02 0.00 0.00 0.00 0.02 0.00 1 R C C 126.32 7.38 16.83 25.43 120.42 -150.21 -108.98 137.10 67.06 32.46 0.48 66.38 1.01 0.45 0.21 0.20 0.00 24.71 7.04 2 E C C 106.99 8.15 17.21 26.45 115.43 -127.38 -87.54 131.91 59.98 39.45 0.56 54.68 3.43 0.61 0.27 0.33 0.00 31.04 9.64 3 I C C 21.86 19.02 11.43 30.49 117.89 -158.19 -108.84 127.24 86.13 13.28 0.59 85.30 1.41 0.42 0.26 0.26 0.00 10.10 2.25 4 T C C 93.02 4.29 19.77 25.07 100.28 173.15 -105.34 -10.90 98.84 0.83 0.33 56.34 41.96 0.77 0.13 0.15 0.00 0.42 0.23 5 D C S 71.06 4.79 21.31 26.54 120.10 70.11 -112.55 132.90 96.31 2.27 1.42 34.91 61.09 0.47 1.31 0.15 0.00 0.46 1.60 6 I H H 36.73 20.35 12.96 32.77 92.24 -141.26 -60.34 -37.63 1.75 0.00 98.25 0.32 0.30 1.03 97.40 0.94 0.00 0.00 0.00 7 K H H 122.74 3.98 20.41 25.19 91.21 56.36 -62.64 -40.16 0.68 0.00 99.32 0.09 0.06 0.47 98.27 1.09 0.00 0.00 0.00 8 Q H H 76.43 6.11 21.00 27.70 91.72 49.61 -65.74 -39.97 0.21 0.00 99.79 0.04 0.02 0.13 98.61 1.19 0.00 0.00 0.00 9 F H H 4.36 25.09 15.65 41.13 91.17 51.48 -62.82 -43.87 0.11 0.00 99.89 0.02 0.01 0.07 99.68 0.22 0.00 0.00 0.00 10 L H H 32.25 16.59 20.45 36.70 91.18 50.52 -63.00 -42.03 0.15 0.00 99.85 0.01 0.01 0.11 99.55 0.33 0.00 0.00 0.00 11 E H H 105.81 2.69 25.20 26.90 91.69 50.77 -64.20 -41.58 0.55 0.00 99.45 0.03 0.01 0.45 98.98 0.53 0.00 0.00 0.00 12 L H H 23.98 15.36 19.54 35.43 91.54 50.25 -65.74 -39.53 2.92 0.00 97.08 0.09 0.12 2.68 96.39 0.70 0.00 0.00 0.00 13 T H H 6.44 23.87 14.72 38.70 91.88 55.93 -73.66 -20.32 30.89 0.14 68.97 3.21 2.23 25.23 67.64 1.50 0.03 0.05 0.10 14 R C T 137.42 6.89 20.65 28.22 92.84 67.23 -80.70 -9.73 80.82 0.52 18.65 18.89 7.81 53.53 16.38 2.82 0.00 0.21 0.36 15 R C S 87.97 10.12 12.68 24.34 114.75 106.98 -75.02 138.94 92.82 2.87 4.31 24.52 63.23 4.29 3.16 1.04 0.00 0.72 3.03 16 A C T 92.04 1.80 16.14 18.62 92.42 -124.35 -63.45 -28.33 97.25 0.14 2.60 0.77 5.83 91.19 0.51 1.53 0.00 0.06 0.11 17 D C T 84.32 6.58 16.43 24.09 94.73 54.63 -87.13 -3.29 98.76 0.11 1.12 2.05 4.59 92.20 0.18 0.87 0.00 0.07 0.04 18 V C C 17.06 22.00 9.15 30.09 112.95 99.03 -85.94 123.99 70.21 28.66 1.13 66.73 2.87 0.58 0.37 0.66 0.00 26.33 2.46 19 K C C 131.65 3.11 22.03 25.57 100.30 177.25 -96.70 -26.47 68.03 31.18 0.79 51.97 14.07 1.29 0.22 0.55 0.00 30.95 0.95 20 T E E 57.63 6.80 24.11 31.70 141.00 4.67 -155.80 154.49 16.77 82.35 0.88 13.27 2.58 1.24 0.25 0.51 0.00 81.64 0.51 21 A E E 8.94 24.40 13.81 38.09 131.90 -170.78 -138.72 143.68 11.11 88.45 0.45 9.93 0.96 0.26 0.19 0.17 0.00 88.19 0.29 22 T E E 55.14 7.85 26.55 34.98 125.67 -168.69 -125.05 138.82 6.38 93.32 0.29 5.71 0.54 0.15 0.16 0.10 0.00 93.07 0.27 23 V E E 19.93 22.48 15.86 38.14 118.61 -151.21 -106.28 128.69 9.94 89.54 0.52 8.78 0.91 0.28 0.28 0.21 0.00 89.27 0.27 24 K E E 83.21 8.85 22.40 31.54 121.24 -161.45 -108.74 135.86 16.05 83.01 0.94 14.67 1.10 0.32 0.56 0.37 0.00 82.37 0.61 25 I E E 62.74 14.43 15.67 30.17 118.82 -147.66 -102.53 133.80 27.37 71.09 1.54 24.66 2.10 0.58 1.08 0.61 0.00 68.27 2.70 26 N C C 56.02 10.54 14.22 26.02 115.47 -151.31 -101.35 125.86 65.00 32.14 2.86 60.36 3.03 0.84 1.96 0.94 0.00 30.96 1.89 27 K C C 124.57 5.63 14.27 21.26 104.42 -160.22 -86.30 6.97 45.88 16.22 37.90 24.88 10.81 11.36 21.14 15.82 0.21 13.96 1.83 28 K C C 129.69 3.65 13.91 18.71 110.84 70.81 -88.28 117.00 40.26 23.02 36.72 20.66 10.07 11.71 20.47 15.24 0.46 18.45 2.94 29 L C H 82.50 7.81 10.92 19.90 109.86 49.89 -91.00 108.25 35.57 29.65 34.78 20.32 8.65 8.57 20.91 13.29 0.81 20.63 6.82 30 N C C 70.63 8.30 9.03 18.57 115.40 82.14 -99.03 134.09 68.58 14.34 17.09 48.42 12.57 6.88 12.75 5.01 0.07 10.18 4.12 31 K C T 160.50 1.67 10.43 13.24 100.57 -139.57 -76.73 -6.44 78.07 6.90 15.02 25.24 15.91 37.89 7.56 6.72 0.09 4.37 2.22 32 A C T 92.23 1.15 9.86 11.50 98.82 45.94 -82.25 5.87 91.59 0.68 7.73 10.75 15.66 65.52 2.62 4.69 0.00 0.39 0.36 33 G C T 60.58 1.47 10.36 12.68 98.84 -93.47 82.21 5.34 94.83 1.12 4.05 22.20 29.31 43.39 0.64 3.41 0.00 0.65 0.40 34 K C C 122.54 2.85 10.32 15.09 121.23 119.58 -97.78 145.77 90.87 8.27 0.86 52.80 34.95 3.69 0.23 0.70 0.00 5.47 2.17 35 P C C 94.19 3.63 12.04 17.33 113.29 -103.05 -67.18 144.11 80.53 17.19 2.28 61.35 12.60 6.17 0.60 1.98 0.01 12.76 4.54 36 F C C 87.57 10.73 10.96 22.56 123.53 -156.18 -113.45 142.94 73.31 23.96 2.73 51.31 15.53 6.22 0.65 2.38 0.00 19.93 3.97 37 R C C 128.76 6.99 16.55 24.65 115.76 -132.71 -96.03 129.04 66.14 31.21 2.65 47.99 12.81 5.17 0.54 2.35 0.00 28.08 3.04 38 Q C C 67.21 12.37 17.41 30.05 119.20 -153.60 -103.70 131.20 62.63 36.17 1.20 47.71 11.96 2.34 0.23 0.99 0.00 35.43 1.34 39 T E E 18.70 17.57 16.96 34.92 121.20 -161.27 -112.22 135.52 38.99 60.88 0.13 33.88 3.56 0.34 0.02 0.10 0.00 61.60 0.50 40 K E E 62.24 12.25 22.84 35.38 128.42 -161.31 -125.41 142.11 5.52 94.47 0.01 4.86 0.44 0.03 0.00 0.01 0.00 94.53 0.13 41 F E E 12.39 22.46 18.17 40.78 128.60 -170.76 -128.01 143.82 0.46 99.54 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.55 0.01 42 K E E 63.79 10.86 25.38 36.74 116.93 -141.51 -105.47 130.37 0.23 99.77 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 43 V E E 6.08 23.80 17.33 41.78 119.69 -166.01 -113.83 128.24 0.29 99.71 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.72 0.00 44 R E E 95.37 8.58 22.59 31.67 117.71 -158.51 -107.39 125.50 2.61 97.38 0.01 2.29 0.20 0.02 0.00 0.00 0.00 97.36 0.12 45 G C C 13.85 15.12 13.00 28.51 129.92 172.78 -121.58 177.12 65.42 34.55 0.04 61.43 2.19 0.15 0.01 0.03 0.00 35.69 0.50 46 S C S 85.59 2.73 16.51 19.81 93.91 -85.49 -64.27 -34.88 99.60 0.24 0.15 1.09 65.10 33.50 0.01 0.13 0.00 0.14 0.04 47 S C S 83.26 2.75 16.28 19.54 101.56 14.25 -104.78 -7.98 99.58 0.28 0.14 0.94 63.58 35.15 0.00 0.12 0.00 0.18 0.04 48 S E E 37.60 9.62 16.18 27.18 137.94 27.84 -147.95 157.86 31.74 68.22 0.04 25.42 5.35 0.24 0.01 0.04 0.00 68.43 0.51 49 L E E 54.60 14.14 17.55 32.07 121.27 -134.81 -113.80 133.60 2.05 97.95 0.00 1.94 0.07 0.00 0.00 0.00 0.00 97.92 0.06 50 Y E E 31.90 16.87 20.33 37.53 127.52 -170.76 -123.22 143.30 0.57 99.43 0.00 0.51 0.01 0.00 0.00 0.00 0.00 99.47 0.00 51 T E E 26.99 15.88 23.29 39.16 122.35 -156.45 -114.11 133.72 0.21 99.79 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.80 0.00 52 L E E 7.50 23.18 21.70 44.87 120.02 -159.75 -110.92 129.89 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.00 53 V E E 30.47 12.95 25.98 39.66 117.70 -156.79 -107.48 125.87 0.35 99.65 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.65 0.02 54 I E E 8.30 22.68 15.27 38.54 120.71 -165.64 -111.41 133.00 15.26 84.73 0.01 15.30 0.23 0.01 0.00 0.00 0.00 84.01 0.44 55 N C S 99.04 5.52 21.78 28.10 97.65 -169.94 -93.34 -14.20 98.07 1.88 0.04 15.21 82.26 0.72 0.01 0.03 0.00 1.70 0.08 56 D C C 73.35 5.04 20.10 25.74 112.16 71.17 -108.05 113.33 98.62 0.59 0.80 63.74 33.33 1.63 0.58 0.20 0.00 0.22 0.30 57 A H H 48.93 13.72 13.32 27.36 93.31 -154.83 -62.33 -35.01 5.12 0.02 94.86 0.76 0.79 3.50 92.14 2.78 0.02 0.01 0.01 58 G H H 46.58 1.60 21.40 21.25 91.77 55.26 -63.01 -41.82 3.59 0.01 96.40 0.28 0.36 2.89 93.22 3.22 0.03 0.00 0.01 59 K H H 79.47 7.89 19.16 27.89 91.89 47.80 -66.98 -38.11 2.04 0.01 97.95 0.28 0.22 1.43 94.86 3.19 0.01 0.00 0.00 60 A H H 3.52 24.07 11.98 36.21 91.04 53.19 -62.86 -42.70 1.32 0.00 98.68 0.29 0.15 0.80 97.57 1.19 0.00 0.00 0.00 61 K H H 112.55 5.19 21.94 27.78 91.32 51.50 -62.84 -40.82 0.93 0.00 99.07 0.08 0.04 0.69 97.86 1.33 0.00 0.00 0.00 62 K H H 115.64 2.17 23.30 23.98 91.61 50.34 -64.27 -42.00 0.70 0.00 99.30 0.05 0.03 0.52 97.19 2.21 0.00 0.00 0.00 63 L H H 11.86 20.16 16.33 36.67 91.67 49.43 -64.31 -42.30 0.50 0.00 99.50 0.06 0.02 0.34 97.08 2.51 0.00 0.00 0.00 64 I H H 44.14 18.36 16.48 34.02 91.21 52.40 -62.59 -39.28 1.27 0.00 98.73 0.12 0.07 0.98 95.16 3.68 0.00 0.00 0.00 65 Q H H 136.78 1.47 21.11 21.63 90.85 55.00 -67.62 -25.63 22.72 0.01 77.27 0.23 0.35 23.81 72.10 3.49 0.01 0.00 0.01 66 S C T 64.75 5.83 18.46 25.06 93.79 54.07 -87.90 -7.71 58.56 0.03 41.41 0.72 1.44 56.89 38.33 2.58 0.00 0.01 0.02 67 L C S 15.73 23.63 8.38 30.67 118.70 102.14 -77.22 143.81 99.75 0.17 0.08 9.59 90.04 0.17 0.05 0.01 0.00 0.03 0.12 68 P C C 45.46 7.65 16.40 26.04 114.32 -103.72 -63.03 147.14 99.91 0.06 0.02 98.79 0.98 0.16 0.01 0.01 0.00 0.02 0.03 69 P C T 106.54 3.81 14.05 19.78 91.55 -109.00 -61.58 -24.36 99.35 0.06 0.58 1.04 4.85 93.44 0.04 0.57 0.00 0.03 0.03 70 T C T 101.15 2.51 16.97 19.97 93.28 56.65 -84.72 -1.30 99.11 0.16 0.72 1.34 4.38 93.31 0.04 0.79 0.00 0.12 0.03 71 L C C 26.57 20.41 8.73 27.95 117.59 107.63 -83.06 136.77 84.68 14.48 0.84 62.77 20.38 1.42 0.08 0.93 0.00 13.57 0.85 72 K E E 135.18 2.40 22.97 25.02 113.58 -140.69 -96.79 125.25 32.93 66.74 0.34 31.50 0.99 0.27 0.06 0.25 0.00 66.24 0.70 73 V E E 37.41 21.57 10.23 30.44 121.51 -162.89 -112.01 132.67 16.43 83.50 0.07 15.88 0.51 0.07 0.02 0.04 0.00 83.03 0.45 74 N E E 87.55 4.19 19.81 24.80 124.60 -171.99 -120.61 142.99 9.95 90.01 0.05 9.44 0.38 0.05 0.01 0.03 0.00 89.73 0.36 75 R E E 141.26 7.74 13.78 23.12 114.47 -123.85 -86.89 129.54 17.51 82.44 0.04 17.30 0.31 0.05 0.01 0.03 0.00 81.30 1.00 76 L C C 75.11 11.28 13.29 24.94 108.61 -164.93 -92.95 105.43 99.24 0.76 0.00 99.34 0.05 0.01 0.00 0.00 0.00 0.59 0.01