# 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 38.22 11.77 21.15 32.75 117.15 -158.92 -92.58 134.37 99.76 0.24 0.00 99.76 0.06 0.01 0.00 0.00 0.00 0.16 0.01 1 V E E 19.50 21.05 15.06 35.57 122.87 -149.29 -112.62 136.07 21.01 78.96 0.02 21.27 0.25 0.03 0.01 0.01 0.00 77.89 0.54 2 K E E 85.42 8.28 23.94 32.53 120.65 -160.08 -112.40 132.88 6.00 93.99 0.01 5.40 0.35 0.02 0.00 0.01 0.00 94.11 0.11 3 I E E 13.96 23.60 15.88 39.49 119.79 -158.83 -109.83 130.48 1.85 98.15 0.00 1.72 0.05 0.00 0.00 0.00 0.00 98.19 0.03 4 R E E 83.22 8.75 25.43 34.50 122.73 -170.10 -120.17 132.95 0.93 99.06 0.00 0.86 0.02 0.00 0.00 0.00 0.00 99.10 0.01 5 L E E 21.07 22.77 15.81 38.07 122.16 -160.87 -111.75 134.53 1.03 98.97 0.00 0.93 0.02 0.00 0.00 0.00 0.00 99.04 0.01 6 T E E 53.36 8.16 23.24 31.89 129.39 -174.37 -130.11 146.72 0.49 99.51 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.53 0.01 7 R E E 109.46 12.96 15.98 28.87 114.16 -116.88 -79.93 131.72 1.40 98.60 0.00 1.32 0.04 0.00 0.00 0.00 0.00 98.58 0.05 8 L E E 67.38 9.62 15.80 26.51 124.84 -177.60 -124.09 147.35 22.24 77.72 0.04 19.46 1.76 0.15 0.01 0.02 0.00 78.30 0.30 9 G C E 37.31 4.01 15.43 20.81 130.56 19.77 118.77 -171.48 52.94 46.93 0.12 31.39 20.95 1.61 0.01 0.14 0.00 45.06 0.83 10 S C C 64.16 4.06 13.21 18.61 125.35 -57.47 -113.03 161.14 73.05 26.54 0.40 57.14 14.48 1.75 0.10 0.40 0.00 22.44 3.69 11 K C S 158.52 2.51 10.79 15.01 96.44 -96.66 -65.04 -30.78 98.04 0.74 1.21 2.83 53.89 41.53 0.05 1.07 0.00 0.44 0.18 12 R C S 193.84 0.74 13.98 13.40 96.52 36.24 -77.63 -14.44 98.33 0.48 1.19 2.69 53.59 42.15 0.04 1.11 0.00 0.29 0.12 13 N C S 78.63 5.76 13.30 20.63 112.29 33.90 -128.92 84.42 77.64 21.86 0.50 19.34 54.41 4.07 0.04 0.52 0.00 20.12 1.49 14 P C C 36.01 13.35 13.31 27.92 115.24 -162.29 -69.78 143.33 63.70 36.24 0.06 58.51 2.38 0.27 0.01 0.05 0.00 38.40 0.39 15 F E E 45.13 12.27 19.80 33.29 128.57 -170.09 -124.78 147.78 3.42 96.57 0.00 2.98 0.21 0.01 0.00 0.00 0.00 96.65 0.14 16 Y E E 33.72 19.06 18.98 37.65 127.68 -157.47 -120.79 143.33 0.34 99.66 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.00 17 R E E 54.86 14.62 24.62 38.83 130.37 -170.67 -129.48 143.42 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 18 I E E 10.39 22.68 21.31 43.97 117.98 -143.41 -104.88 128.42 0.08 99.92 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 19 V E E 12.65 18.23 25.14 43.24 126.04 -170.59 -120.47 140.46 0.11 99.89 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 20 V E E 13.28 20.07 23.97 43.76 119.31 -150.98 -106.93 130.09 0.59 99.41 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.44 0.01 21 A E E 9.52 17.61 19.66 37.84 133.55 173.49 -130.98 154.77 5.72 94.28 0.00 5.38 0.16 0.00 0.00 0.00 0.00 94.19 0.26 22 D E E 40.53 9.94 19.55 30.56 115.19 -103.85 -71.63 151.24 28.16 71.77 0.06 26.15 1.66 0.16 0.02 0.05 0.00 70.32 1.64 23 A C T 64.61 9.45 14.89 25.36 91.50 -114.12 -62.45 -25.99 98.97 0.60 0.43 0.55 13.19 85.40 0.02 0.35 0.00 0.39 0.10 24 R C T 178.99 1.19 17.67 17.62 94.23 58.04 -84.36 -9.66 98.94 0.61 0.45 0.81 14.15 84.09 0.02 0.39 0.00 0.43 0.11 25 S C S 32.45 12.42 9.70 22.80 116.73 76.50 -101.03 131.33 96.07 3.73 0.20 24.27 71.77 0.52 0.06 0.11 0.00 1.35 1.92 26 P C C 65.57 5.48 13.87 20.92 112.84 -117.79 -66.21 153.34 95.89 2.40 1.71 89.82 2.80 3.12 0.33 1.45 0.00 1.32 1.17 27 R C T 153.23 6.74 11.50 19.85 93.48 -105.57 -62.58 -27.06 91.79 0.97 7.24 5.04 13.30 71.60 0.38 8.59 0.00 0.56 0.52 28 D C T 117.21 1.41 15.85 16.80 95.53 54.23 -84.90 2.45 90.71 0.54 8.75 2.67 11.43 74.89 0.39 10.01 0.00 0.30 0.30 29 G C S 31.89 11.68 12.40 24.27 101.54 -106.44 82.00 6.47 92.06 1.93 6.02 37.79 43.12 10.02 0.42 6.75 0.00 1.04 0.86 30 R C C 124.55 5.12 18.03 24.21 113.25 136.98 -84.92 131.73 94.39 5.20 0.41 81.99 10.87 1.50 0.08 0.41 0.00 3.81 1.35 31 I E E 62.82 15.27 13.25 28.25 112.56 -126.62 -83.31 124.20 40.25 59.67 0.08 39.02 1.20 0.11 0.03 0.06 0.00 54.99 4.59 32 I E E 70.18 10.87 17.79 29.28 100.60 175.82 -92.93 -33.79 34.46 65.52 0.02 19.37 15.09 0.21 0.00 0.02 0.00 65.14 0.17 33 E E E 75.62 8.47 21.32 30.46 138.93 -2.71 -150.07 149.88 1.98 98.01 0.01 1.66 0.25 0.02 0.00 0.00 0.00 98.03 0.04 34 Q E E 90.97 12.57 19.16 31.52 112.91 -125.38 -89.28 125.12 0.57 99.43 0.00 0.60 0.01 0.00 0.00 0.00 0.00 99.35 0.04 35 I E E 22.12 19.33 17.92 37.28 101.16 176.04 -98.85 -22.26 3.48 96.51 0.01 2.80 0.50 0.06 0.00 0.01 0.00 96.59 0.04 36 G E E 9.18 12.30 22.18 35.70 144.46 -45.51 161.02 177.59 5.40 94.59 0.02 3.67 1.38 0.13 0.00 0.01 0.00 94.75 0.05 37 T E E 44.83 13.57 21.79 35.54 133.67 -101.07 -136.42 151.86 4.81 95.17 0.02 4.40 0.36 0.03 0.01 0.01 0.00 94.89 0.30 38 Y E E 46.59 17.59 17.66 35.26 123.24 -148.17 -116.01 135.98 11.71 88.25 0.04 10.42 1.05 0.06 0.02 0.02 0.00 84.12 4.30 39 N C C 47.34 9.87 18.46 29.87 111.27 -163.12 -116.29 107.47 83.33 16.62 0.05 79.62 2.92 0.20 0.01 0.04 0.00 16.51 0.69 40 P C T 57.98 11.83 13.97 26.99 94.20 -164.42 -66.49 -20.66 91.99 4.28 3.73 23.50 25.59 42.79 0.39 3.62 0.00 3.44 0.66 41 T C T 98.52 2.71 15.17 18.50 96.76 56.30 -86.36 -11.89 92.85 2.17 4.98 16.25 32.48 44.01 0.68 4.44 0.00 1.27 0.87 42 S C C 51.83 6.89 10.10 18.78 114.58 66.05 -104.75 120.51 91.30 3.25 5.45 46.80 30.15 13.90 0.95 4.92 0.00 1.47 1.81 43 A C T 85.67 3.02 11.67 16.46 98.76 -162.66 -72.82 -19.60 95.71 1.33 2.97 23.86 32.15 39.62 0.45 2.66 0.00 0.68 0.59 44 N C T 133.37 1.05 14.44 14.89 99.06 45.88 -90.24 21.79 96.64 1.17 2.19 23.42 33.89 39.18 0.26 2.19 0.00 0.64 0.43 45 A C C 37.27 12.72 9.52 22.60 115.84 112.75 -81.70 140.36 93.42 3.62 2.97 55.95 31.86 5.56 0.48 2.78 0.00 2.14 1.22 46 P C C 78.01 6.37 15.73 23.26 101.15 -134.35 -72.18 -15.77 92.56 5.35 2.09 71.34 15.51 5.49 0.28 2.05 0.00 4.71 0.61 47 E C E 103.92 7.19 18.10 26.23 121.38 -19.12 -120.18 135.40 49.80 47.76 2.44 41.53 6.19 2.35 0.53 2.00 0.00 45.62 1.77 48 I E E 31.87 20.37 12.76 32.40 124.00 -166.58 -121.03 135.12 20.56 79.22 0.23 19.09 1.14 0.17 0.11 0.11 0.00 77.61 1.77 49 K E E 119.98 4.84 23.74 29.64 121.96 -158.69 -113.73 135.33 12.32 87.55 0.13 11.28 0.84 0.11 0.09 0.06 0.00 85.56 2.06 50 V E E 19.61 23.10 11.85 34.34 119.99 -148.82 -103.74 133.52 30.53 69.38 0.09 29.79 0.87 0.06 0.07 0.04 0.00 66.03 3.16 51 D C C 70.46 6.03 20.76 27.49 105.48 -130.71 -87.30 105.32 87.72 12.09 0.20 88.00 0.55 0.06 0.14 0.03 0.00 10.78 0.46 52 E H H 88.51 13.47 14.35 27.98 93.47 -166.87 -63.80 -36.26 1.24 0.00 98.75 0.29 0.11 0.62 98.67 0.31 0.00 0.00 0.00 53 A H H 74.92 1.51 21.67 21.35 91.59 54.13 -63.13 -41.05 0.37 0.00 99.63 0.04 0.02 0.25 99.41 0.28 0.00 0.00 0.00 54 L H H 49.50 9.11 18.92 29.30 91.95 48.56 -65.47 -40.82 0.12 0.00 99.88 0.01 0.00 0.07 99.70 0.21 0.00 0.00 0.00 55 A H H 2.91 24.09 13.65 38.12 91.35 51.32 -63.14 -43.60 0.09 0.00 99.91 0.01 0.00 0.05 99.89 0.05 0.00 0.00 0.00 56 L H H 61.40 8.88 20.68 30.32 91.42 50.39 -63.39 -41.37 0.13 0.00 99.87 0.01 0.00 0.08 99.87 0.03 0.00 0.00 0.00 57 K H H 114.55 2.05 23.45 23.80 91.64 50.72 -63.80 -42.42 0.18 0.00 99.82 0.01 0.01 0.13 99.78 0.07 0.00 0.00 0.00 58 W H H 31.88 15.70 16.92 33.31 91.81 49.96 -64.26 -42.38 0.43 0.00 99.57 0.03 0.02 0.33 99.36 0.27 0.00 0.00 0.00 59 L H H 32.79 18.52 14.43 32.42 91.71 50.95 -64.40 -38.91 1.14 0.00 98.85 0.07 0.05 0.99 98.16 0.73 0.00 0.00 0.00 60 N H H 122.01 1.97 18.27 20.62 90.32 55.99 -67.24 -24.31 11.10 0.01 88.89 0.22 0.31 11.07 87.56 0.82 0.01 0.00 0.01 61 D C T 95.98 3.33 16.37 20.41 93.86 55.13 -89.47 0.14 84.72 0.03 15.25 0.36 1.75 81.68 15.52 0.64 0.00 0.01 0.03 62 G C T 46.28 4.26 18.46 23.40 100.88 -97.57 92.07 7.35 99.60 0.02 0.38 2.84 2.26 94.58 0.23 0.06 0.00 0.01 0.01 63 A C C 19.00 19.56 10.70 29.80 116.60 158.82 -71.32 143.57 98.57 1.38 0.05 97.62 1.09 0.09 0.02 0.02 0.00 0.76 0.40 64 K C C 140.08 2.76 23.90 26.90 114.46 -136.83 -99.65 126.32 91.77 8.22 0.02 91.58 1.11 0.04 0.01 0.01 0.00 6.37 0.88 65 P C C 34.49 21.50 12.08 32.38 117.12 -121.43 -69.88 148.38 86.56 13.40 0.04 87.94 0.67 0.03 0.02 0.01 0.00 7.25 4.08 66 T C C 43.67 9.41 16.69 27.33 121.77 -117.84 -77.50 164.24 98.31 1.60 0.08 98.24 0.45 0.03 0.05 0.01 0.00 0.59 0.64 67 D H H 115.51 1.85 17.87 19.92 90.91 -102.22 -60.02 -35.40 1.32 0.00 98.68 0.16 0.21 0.75 98.74 0.14 0.00 0.00 0.00 68 T H H 62.48 6.55 18.89 26.22 91.71 52.77 -64.63 -41.31 0.52 0.00 99.48 0.04 0.03 0.36 99.44 0.12 0.00 0.00 0.00 69 V H H 7.37 22.86 14.73 37.61 91.67 48.43 -64.91 -42.73 0.15 0.00 99.85 0.02 0.01 0.09 99.80 0.09 0.00 0.00 0.00 70 H H H 70.99 12.58 18.37 30.97 91.13 51.19 -62.21 -42.30 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 71 N H H 88.05 2.09 22.98 23.32 91.66 50.05 -64.33 -42.03 0.26 0.00 99.74 0.02 0.01 0.19 99.75 0.04 0.00 0.00 0.00 72 I H H 29.69 11.54 18.80 31.82 91.49 49.54 -63.88 -43.23 0.36 0.00 99.64 0.02 0.02 0.26 99.63 0.07 0.00 0.00 0.00 73 L H H 9.94 19.89 14.18 34.52 91.81 48.96 -64.20 -42.27 0.81 0.01 99.18 0.12 0.07 0.53 99.09 0.18 0.00 0.00 0.00 74 S H H 55.35 5.99 16.23 23.41 91.85 51.23 -63.91 -40.59 2.59 0.01 97.40 0.32 0.15 1.94 96.72 0.86 0.01 0.00 0.00 75 K H H 150.30 1.46 16.89 18.02 91.44 51.93 -65.82 -32.15 8.45 0.01 91.54 0.24 0.29 8.14 90.44 0.86 0.01 0.00 0.01 76 E C T 89.86 8.19 13.06 22.52 93.71 51.00 -86.87 -3.28 73.37 0.04 26.60 0.40 1.45 71.30 25.60 1.19 0.01 0.01 0.04 77 G C T 53.12 2.44 16.79 19.71 95.58 -112.64 77.26 15.40 99.41 0.02 0.57 1.13 3.00 95.46 0.29 0.11 0.00 0.01 0.01 78 I C S 46.79 13.28 12.92 26.96 97.78 122.06 -86.48 -17.44 97.34 1.39 1.26 35.98 53.13 8.36 0.46 0.81 0.00 0.70 0.57 79 M C S 52.87 15.89 10.64 26.02 120.79 62.51 -108.18 137.01 82.96 14.84 2.20 32.54 42.39 8.96 0.60 1.63 0.01 7.42 6.44 80 K C C 126.33 4.33 14.75 20.80 120.14 -152.30 -102.97 142.81 89.83 9.42 0.75 77.90 9.83 2.04 0.18 0.62 0.00 7.49 1.94 81 K C C 148.15 3.70 12.37 18.27 112.23 -113.90 -80.73 133.80 94.61 5.12 0.28 92.94 1.18 0.99 0.07 0.14 0.00 3.43 1.25 82 F C C 120.03 7.42 11.61 20.26 116.93 -141.28 -104.15 137.29 99.90 0.09 0.00 99.85 0.07 0.02 0.00 0.00 0.00 0.05 0.01