# 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 R C C 155.73 3.76 10.96 16.62 115.95 -154.97 -97.27 133.27 99.81 0.17 0.02 99.77 0.08 0.04 0.01 0.00 0.00 0.08 0.02 1 K C C 145.81 2.80 9.08 13.78 114.37 -148.59 -94.97 128.74 83.91 7.70 8.39 77.10 1.59 5.96 4.46 2.92 0.00 5.93 2.04 2 N C C 118.61 2.41 8.87 13.00 110.33 -148.17 -93.13 108.62 77.16 13.09 9.76 52.31 13.98 11.13 4.62 5.04 0.01 10.13 2.79 3 I C C 108.71 4.36 8.29 14.53 114.69 -161.19 -99.20 125.67 71.46 18.58 9.96 51.47 13.04 6.50 6.06 4.36 0.03 14.14 4.41 4 V C C 96.15 3.70 9.93 15.49 116.12 -156.79 -99.47 129.99 76.66 14.21 9.13 59.09 12.95 4.09 7.25 2.52 0.01 9.81 4.27 5 W C C 128.72 5.31 9.81 16.99 113.99 -143.60 -93.31 131.36 87.81 2.17 10.02 78.87 7.38 1.19 10.11 0.67 0.00 1.23 0.55 6 P H H 79.38 4.02 11.38 17.06 97.19 -126.75 -63.38 -37.76 24.76 0.69 74.55 19.18 2.36 4.52 68.86 4.45 0.00 0.47 0.16 7 E H H 125.93 1.75 12.82 14.75 94.96 54.58 -67.19 -36.92 11.57 0.72 87.71 6.06 1.95 4.56 80.76 5.86 0.03 0.65 0.13 8 Q H H 97.79 2.94 13.10 16.91 93.66 51.61 -67.60 -38.22 6.60 0.68 92.71 4.16 1.21 2.39 85.31 6.17 0.01 0.66 0.09 9 L H H 69.78 5.60 11.51 18.99 93.11 52.52 -66.13 -39.86 4.49 0.61 94.90 3.07 0.83 1.48 91.27 2.69 0.01 0.58 0.08 10 E H H 102.35 2.83 14.12 17.69 92.90 51.94 -65.65 -39.38 4.57 0.71 94.73 2.72 0.72 1.69 92.29 1.80 0.01 0.67 0.09 11 E H H 105.87 2.10 14.39 16.49 92.78 50.92 -66.64 -39.28 5.83 0.71 93.46 2.92 0.88 2.57 90.83 2.00 0.02 0.66 0.12 12 Q H H 91.67 3.96 12.74 18.05 93.05 52.01 -67.00 -38.18 8.34 0.59 91.07 3.54 1.18 4.08 88.59 1.95 0.02 0.50 0.13 13 K H H 112.09 4.48 12.32 18.14 94.37 52.36 -68.59 -33.46 16.09 0.69 83.22 5.92 2.11 8.51 80.89 1.86 0.03 0.46 0.21 14 R H H 151.13 2.40 12.58 15.76 95.49 57.93 -71.15 -28.13 27.66 0.99 71.35 7.98 3.85 16.08 69.08 2.01 0.06 0.60 0.34 15 N H H 107.55 2.76 12.17 15.80 99.23 55.23 -85.75 -1.01 47.21 1.71 51.08 15.96 6.27 24.74 48.75 2.64 0.04 1.06 0.53 16 K C H 118.01 5.66 10.87 18.17 107.67 98.89 -83.06 90.42 60.30 5.67 34.03 25.37 11.11 23.25 30.65 4.22 0.06 4.31 1.02 17 Q C C 120.37 3.47 13.32 17.91 106.28 -146.24 -91.10 20.28 62.74 14.31 22.96 30.54 12.06 19.99 18.18 5.36 0.08 12.29 1.51 18 Y C C 96.84 10.30 11.38 22.69 121.57 86.52 -110.28 138.52 55.76 30.93 13.32 34.00 11.94 10.13 8.28 4.89 0.08 28.91 1.77 19 E E E 96.95 6.93 16.46 24.52 118.34 -158.46 -107.23 138.19 41.11 52.50 6.39 27.69 8.58 5.06 3.35 2.57 0.03 51.63 1.09 20 Y E E 85.99 13.20 13.63 27.25 125.36 -158.62 -118.42 141.42 21.96 75.68 2.36 17.22 3.18 1.30 1.12 0.90 0.00 75.72 0.55 21 Q E E 76.36 8.63 17.69 27.48 126.95 -168.92 -125.37 141.08 8.62 90.52 0.86 6.96 0.95 0.35 0.38 0.28 0.00 90.89 0.20 22 W E E 97.20 12.15 15.06 27.94 119.89 -146.92 -106.63 134.01 3.08 96.52 0.40 2.55 0.26 0.11 0.16 0.11 0.00 96.71 0.09 23 V E E 51.82 9.27 15.48 26.48 120.93 -165.54 -116.64 133.66 2.43 97.24 0.33 2.04 0.21 0.10 0.13 0.09 0.00 97.34 0.09 24 I E E 76.18 8.51 12.77 22.89 117.58 -153.05 -105.13 127.79 7.63 91.73 0.64 6.10 0.95 0.43 0.21 0.26 0.00 91.80 0.25 25 S E E 58.10 6.75 10.94 19.14 116.79 -166.31 -112.10 121.47 33.60 64.71 1.70 20.77 7.97 5.44 0.35 1.19 0.00 63.74 0.54 26 N C T 123.93 1.91 12.29 14.85 98.97 -25.53 -45.92 36.31 85.24 11.77 2.99 10.87 19.34 55.17 0.36 2.54 0.00 10.85 0.87 27 G C T 55.93 2.70 11.37 15.10 97.61 -71.57 80.08 1.46 95.97 1.33 2.70 8.81 23.60 63.58 0.30 2.43 0.00 0.97 0.32 28 K C T 128.73 3.87 12.63 17.67 114.26 99.10 -102.75 139.74 74.74 22.67 2.60 17.74 26.72 31.40 0.42 1.99 0.01 20.71 1.02 29 K E E 113.48 6.22 14.20 21.66 120.13 -120.12 -109.30 137.52 28.17 70.89 0.94 20.56 5.90 1.97 0.36 0.54 0.00 69.90 0.78 30 F E E 67.52 12.48 13.16 26.55 125.57 -168.14 -119.94 141.78 8.51 91.03 0.46 7.06 0.92 0.30 0.24 0.15 0.00 90.95 0.37 31 I E E 63.62 9.62 17.68 28.51 121.28 -157.02 -113.11 134.64 4.71 94.80 0.49 3.98 0.43 0.19 0.26 0.13 0.00 94.80 0.21 32 A E E 32.43 13.72 15.48 29.84 121.06 -151.53 -104.03 138.78 10.72 87.90 1.38 8.95 1.15 0.52 0.64 0.45 0.00 87.94 0.35 33 R E E 103.74 9.46 16.42 26.66 121.16 -155.89 -110.26 138.94 26.18 69.65 4.16 20.45 4.05 1.97 2.06 1.64 0.01 68.98 0.83 34 R C E 113.07 9.38 13.32 23.58 113.33 -134.59 -88.84 133.01 47.35 44.58 8.07 33.33 9.86 4.97 4.53 3.34 0.03 42.23 1.71 35 E C C 115.94 5.81 13.36 20.48 108.34 -148.44 -88.05 114.31 69.24 21.93 8.83 41.31 17.78 10.52 4.70 3.97 0.05 19.57 2.09 36 S C C 62.20 5.22 12.50 19.09 116.18 -151.36 -100.30 140.62 78.19 10.71 11.10 44.07 20.72 13.92 6.75 4.37 0.03 8.09 2.05 37 T C C 90.47 5.17 11.27 17.84 101.77 -144.10 -82.66 -10.17 72.04 4.08 23.88 31.90 24.60 15.96 18.87 4.93 0.05 2.38 1.31 38 S C H 75.96 2.99 13.13 16.95 99.56 75.56 -82.35 -14.31 59.19 2.98 37.83 25.15 18.83 15.99 32.35 4.91 0.06 1.80 0.91 39 T H H 67.04 5.93 12.59 19.92 105.30 58.51 -85.12 3.60 47.93 3.83 48.24 26.80 10.81 11.43 43.05 4.35 0.05 2.55 0.95 40 K H H 98.90 8.74 13.41 22.89 97.03 62.09 -70.56 -29.03 30.37 3.96 65.67 20.10 5.58 6.18 60.79 3.54 0.03 3.06 0.71 41 W H H 125.07 5.99 14.60 21.69 96.70 61.65 -69.21 -35.71 15.07 3.30 81.63 10.47 2.28 3.53 77.09 3.13 0.02 3.12 0.35 42 E H H 99.33 3.64 17.34 21.36 94.59 58.62 -66.77 -39.94 7.92 3.53 88.55 5.08 1.22 2.41 83.94 3.11 0.02 3.98 0.24 43 I H H 54.03 9.99 14.85 25.90 93.29 51.99 -66.09 -41.64 5.76 2.96 91.28 3.22 0.89 2.11 86.96 3.14 0.02 3.48 0.16 44 W H H 91.44 9.76 14.93 25.63 93.10 51.30 -66.79 -39.23 5.31 1.41 93.27 2.50 0.82 2.42 88.74 3.79 0.03 1.60 0.11 45 K H H 111.62 3.34 17.05 20.82 92.59 53.04 -66.54 -37.73 9.45 1.03 89.52 2.63 1.21 5.83 83.69 5.35 0.09 1.04 0.15 46 S H H 53.27 4.75 15.54 21.36 93.61 51.20 -70.80 -33.25 17.76 0.67 81.57 3.21 1.81 12.58 76.35 5.21 0.11 0.57 0.17 47 I H H 64.18 11.14 11.99 23.64 95.47 57.04 -71.84 -32.63 25.45 2.00 72.55 9.24 4.49 12.72 64.04 7.37 0.16 1.43 0.56 48 E H H 117.10 5.04 14.11 20.34 95.57 62.68 -72.51 -22.48 44.14 4.03 51.83 15.39 6.70 22.17 44.43 7.20 0.17 2.82 1.12 49 K C T 144.83 2.12 15.26 17.51 98.13 57.96 -85.17 -4.85 58.69 5.54 35.76 20.53 8.12 29.77 29.10 7.07 0.13 3.67 1.60 50 V C C 62.36 10.82 8.41 19.85 114.20 108.76 -88.34 130.67 79.53 9.21 11.26 53.13 21.28 4.55 10.12 1.79 0.03 3.87 5.23 51 T C C 81.41 3.21 12.23 16.86 118.53 -148.45 -95.00 144.42 96.36 2.42 1.22 86.27 8.49 1.44 0.79 0.42 0.00 1.15 1.43 52 P C T 103.61 3.33 10.01 15.34 110.09 -98.88 -61.20 139.52 94.70 1.86 3.44 13.11 9.72 71.99 0.86 2.41 0.00 1.16 0.74 53 G C T 62.29 1.21 11.47 13.07 99.09 20.51 82.70 -2.25 96.05 1.15 2.80 11.99 10.26 73.73 0.45 2.41 0.00 0.79 0.37 54 Q C C 111.53 4.06 8.33 14.38 115.47 117.62 -86.75 140.56 92.19 5.01 2.80 67.06 20.05 4.13 0.68 2.34 0.00 2.01 3.72 55 K C C 155.84 1.75 9.51 12.92 116.05 -120.83 -88.77 135.35 97.95 1.99 0.06 96.61 1.46 0.16 0.02 0.02 0.00 0.99 0.73 56 P C C 92.49 4.88 10.77 17.58 111.93 -103.03 -66.69 147.29 99.93 0.06 0.01 99.77 0.13 0.06 0.00 0.00 0.00 0.02 0.01