# 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 H C C 128.81 3.87 13.24 18.41 110.74 -140.62 -88.42 122.91 99.92 0.04 0.03 99.81 0.09 0.06 0.02 0.00 0.00 0.02 0.01 1 A C C 66.02 6.38 8.73 16.51 110.12 -143.42 -81.22 131.75 79.12 1.19 19.69 69.83 1.48 9.54 13.13 4.80 0.00 0.69 0.54 2 N C C 112.25 3.21 9.92 14.56 105.70 -146.18 -84.29 25.68 70.85 2.53 26.62 45.28 11.40 13.76 19.03 8.08 0.01 1.50 0.94 3 E C C 129.31 3.36 9.61 14.56 100.76 72.34 -79.11 -8.27 58.18 5.91 35.91 40.22 9.38 8.47 26.49 9.84 0.02 4.36 1.21 4 Q C C 118.37 3.33 11.32 16.14 103.79 68.96 -85.31 18.22 52.28 11.92 35.80 38.23 7.27 6.66 28.07 8.18 0.04 9.94 1.61 5 I C C 87.55 8.00 9.99 19.19 109.56 80.60 -91.40 98.18 48.43 18.05 33.51 36.89 5.83 5.41 27.32 6.68 0.05 15.47 2.34 6 I C C 99.57 6.06 11.69 19.19 107.16 67.25 -86.63 56.20 55.90 15.53 28.57 40.66 7.29 6.81 24.63 4.99 0.04 13.70 1.89 7 D C C 104.27 3.01 13.51 17.71 104.59 53.71 -91.45 41.26 68.04 10.88 21.08 46.24 10.89 9.66 17.65 4.88 0.03 8.86 1.80 8 M C C 78.40 9.85 9.92 20.76 115.49 83.64 -91.65 133.18 87.56 3.93 8.51 63.44 20.30 3.29 7.96 1.51 0.00 2.55 0.94 9 P C C 76.53 5.48 12.70 19.62 105.09 -109.07 -68.43 139.85 78.00 2.78 19.22 60.53 6.90 9.52 16.07 4.26 0.00 1.87 0.85 10 E C C 126.50 3.91 12.62 17.98 99.99 14.52 -75.32 -14.20 72.13 1.49 26.37 40.49 14.20 17.21 20.59 6.05 0.01 0.70 0.74 11 N C C 85.29 5.77 12.02 19.21 103.91 72.76 -82.78 10.16 68.16 0.95 30.89 38.82 14.03 15.22 24.49 6.48 0.01 0.40 0.55 12 S H H 68.89 3.50 13.47 18.05 96.35 75.66 -66.94 -33.02 46.10 0.70 53.20 22.55 11.12 13.53 44.12 8.00 0.02 0.31 0.35 13 E H H 112.65 3.61 15.37 19.74 94.95 55.66 -70.10 -30.61 39.91 0.72 59.36 21.99 7.44 11.46 51.84 6.58 0.01 0.35 0.32 14 M H H 51.56 13.50 12.53 26.27 94.65 56.39 -69.65 -34.77 31.39 0.48 68.13 21.16 4.70 6.46 62.30 4.95 0.00 0.22 0.21 15 K H H 110.55 5.28 16.78 23.23 92.87 58.07 -64.13 -41.25 14.31 0.19 85.51 8.98 2.31 3.62 83.07 1.85 0.00 0.08 0.07 16 S H H 63.08 2.41 20.29 21.69 92.68 49.98 -65.61 -40.06 10.68 0.17 89.16 6.25 1.53 3.32 87.17 1.60 0.00 0.08 0.06 17 M H H 47.66 12.54 17.54 30.70 92.56 50.47 -65.67 -41.02 5.81 0.08 94.11 3.26 0.80 1.93 92.91 1.03 0.00 0.04 0.03 18 K H H 63.26 16.26 18.14 33.53 91.71 52.36 -62.47 -42.05 2.27 0.02 97.70 1.13 0.29 0.80 97.39 0.37 0.00 0.01 0.01 19 N H H 87.35 3.71 23.52 27.04 91.68 50.26 -64.08 -41.07 1.20 0.01 98.79 0.48 0.13 0.50 98.71 0.17 0.00 0.00 0.00 20 D H H 71.47 4.60 24.11 28.60 91.67 49.35 -64.71 -40.94 0.86 0.01 99.13 0.30 0.08 0.38 99.10 0.12 0.00 0.00 0.00 21 A H H 6.06 21.26 18.45 39.86 91.77 50.75 -63.56 -43.48 0.45 0.00 99.55 0.13 0.03 0.22 99.55 0.07 0.00 0.00 0.00 22 F H H 48.50 15.93 22.06 37.38 91.28 49.72 -62.95 -42.56 0.21 0.00 99.79 0.04 0.01 0.10 99.81 0.03 0.00 0.00 0.00 23 S H H 60.63 2.57 26.93 28.23 91.25 50.04 -63.18 -42.44 0.20 0.00 99.80 0.03 0.01 0.11 99.82 0.03 0.00 0.00 0.00 24 Q H H 44.39 11.03 23.41 35.01 91.74 49.39 -64.50 -42.24 0.18 0.00 99.82 0.02 0.01 0.11 99.84 0.02 0.00 0.00 0.00 25 A H H 2.68 25.18 17.42 42.95 91.06 50.68 -63.37 -42.08 0.13 0.00 99.87 0.01 0.01 0.07 99.88 0.02 0.00 0.00 0.00 26 K H H 94.43 9.22 23.64 32.98 91.18 51.49 -62.77 -41.95 0.17 0.00 99.83 0.02 0.01 0.11 99.84 0.03 0.00 0.00 0.00 27 F H H 110.86 2.44 25.53 26.46 91.45 49.67 -63.93 -42.25 0.30 0.00 99.70 0.03 0.01 0.20 99.69 0.07 0.00 0.00 0.00 28 A H H 9.09 15.58 17.37 34.34 91.47 50.43 -63.66 -41.83 0.65 0.00 99.35 0.06 0.03 0.44 99.18 0.29 0.00 0.00 0.00 29 V H H 22.56 19.03 14.77 33.54 91.93 51.04 -64.95 -37.77 2.00 0.00 98.00 0.17 0.10 1.54 96.18 1.99 0.00 0.00 0.00 30 E H H 132.82 2.38 19.75 22.22 91.70 54.27 -68.09 -28.87 10.05 0.01 89.94 0.24 0.34 9.68 87.89 1.82 0.01 0.00 0.00 31 N H H 106.46 2.74 17.86 20.68 95.82 47.48 -86.11 -17.04 30.19 0.03 69.78 0.75 1.31 27.99 68.28 1.62 0.01 0.01 0.02 32 Y C C 54.99 15.90 9.32 24.75 118.67 60.43 -114.11 129.75 90.16 0.65 9.19 71.60 9.42 8.10 8.95 1.13 0.00 0.20 0.61 33 K C C 158.83 2.18 17.13 20.03 97.84 -169.63 -88.78 -9.21 98.47 0.46 1.08 56.12 36.82 5.59 0.55 0.42 0.00 0.16 0.34 34 F C S 104.71 4.41 17.03 22.50 119.36 84.49 -104.46 133.38 96.61 1.43 1.96 38.72 56.00 1.72 1.47 0.38 0.00 0.29 1.42 35 E H H 85.49 14.48 12.57 26.79 93.30 -139.20 -60.80 -38.19 13.24 0.10 86.66 3.74 2.87 6.87 79.24 7.16 0.02 0.05 0.05 36 N H H 109.94 3.08 18.75 22.72 91.86 56.27 -64.71 -36.92 9.91 0.05 90.04 1.62 1.15 6.72 81.97 8.47 0.02 0.02 0.02 37 K H H 106.35 4.11 21.36 25.30 92.94 48.97 -71.37 -33.06 6.78 0.11 93.11 2.28 0.76 3.44 83.54 9.88 0.01 0.07 0.03 38 I H H 8.55 20.84 16.48 37.73 91.91 54.68 -62.76 -44.30 2.03 0.03 97.95 0.83 0.26 0.92 96.90 1.06 0.00 0.01 0.01 39 S H H 10.77 18.71 19.47 38.31 90.94 51.03 -62.29 -42.50 0.76 0.00 99.24 0.18 0.06 0.42 98.99 0.36 0.00 0.00 0.00 40 S H H 51.05 3.39 25.38 28.20 91.19 51.22 -63.47 -41.80 0.47 0.00 99.53 0.04 0.02 0.34 99.41 0.19 0.00 0.00 0.00 41 H H H 60.99 8.52 23.80 32.96 91.75 49.86 -64.59 -42.28 0.30 0.00 99.70 0.02 0.01 0.21 99.66 0.10 0.00 0.00 0.00 42 I H H 2.72 25.69 17.85 43.97 91.54 49.62 -63.37 -43.67 0.25 0.00 99.75 0.02 0.01 0.17 99.76 0.04 0.00 0.00 0.00 43 K H H 72.26 15.34 21.03 35.22 91.61 51.42 -61.75 -42.51 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 44 K H H 121.00 2.05 24.75 25.29 91.83 49.58 -64.15 -42.03 0.18 0.00 99.82 0.01 0.00 0.13 99.83 0.03 0.00 0.00 0.00 45 F H H 58.68 8.80 20.72 30.63 92.02 47.72 -65.63 -42.07 0.49 0.00 99.51 0.02 0.01 0.38 99.54 0.05 0.00 0.00 0.00 46 F H H 8.15 22.55 13.76 36.50 91.85 48.70 -64.87 -42.31 0.70 0.00 99.30 0.07 0.05 0.44 99.35 0.08 0.00 0.00 0.00 47 D H H 62.18 10.48 15.83 26.99 91.92 51.41 -64.10 -38.80 0.51 0.00 99.49 0.05 0.02 0.33 99.45 0.14 0.00 0.00 0.00 48 E H H 147.21 0.98 18.65 17.87 93.43 48.66 -69.88 -36.84 0.96 0.00 99.04 0.03 0.03 0.87 98.82 0.24 0.00 0.00 0.00 49 K H H 113.06 5.22 16.68 22.95 99.94 36.18 -88.18 -37.27 2.70 0.00 97.30 0.04 0.11 2.59 97.00 0.25 0.00 0.00 0.00 50 Y H H 60.32 14.80 12.36 27.25 105.12 23.97 -111.20 -12.57 9.82 0.03 90.16 0.50 1.94 7.50 89.74 0.26 0.03 0.00 0.03 51 G C C 25.43 5.14 17.96 24.55 128.01 -109.43 101.81 168.84 99.48 0.23 0.29 92.80 5.08 1.55 0.05 0.30 0.00 0.11 0.10 52 P C T 96.32 5.88 15.36 22.56 93.13 -62.68 -69.21 -15.89 99.30 0.14 0.56 1.90 16.82 80.42 0.02 0.72 0.00 0.08 0.04 53 N C T 95.57 4.95 19.15 24.85 93.94 61.68 -88.39 -0.71 98.93 0.64 0.43 7.08 11.79 79.90 0.02 0.59 0.00 0.54 0.09 54 W C C 26.58 20.88 12.85 33.66 116.61 113.37 -76.62 140.24 77.77 22.19 0.04 69.17 7.68 0.21 0.00 0.05 0.00 22.40 0.49 55 H E E 67.84 10.51 26.49 37.16 122.77 -158.95 -110.98 138.39 15.66 84.33 0.01 14.54 0.65 0.03 0.00 0.01 0.00 84.48 0.29 56 C E E 9.49 24.48 18.37 42.68 124.34 -161.11 -118.69 136.22 1.27 98.73 0.00 1.15 0.04 0.00 0.00 0.00 0.00 98.76 0.04 57 V E E 30.37 13.57 26.27 40.14 120.54 -167.42 -120.07 127.85 0.28 99.72 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.70 0.03 58 V E E 24.53 19.64 20.10 39.19 120.34 -163.96 -111.73 128.65 2.08 97.91 0.01 1.87 0.08 0.01 0.00 0.00 0.00 97.96 0.08 59 G E E 16.06 14.37 18.96 33.31 136.09 127.18 -140.09 169.96 38.34 61.24 0.41 30.63 7.02 1.29 0.08 0.38 0.00 59.69 0.90 60 K C S 121.35 7.16 18.24 26.05 101.40 -116.90 -87.13 -17.19 82.56 15.70 1.75 13.60 49.26 20.31 0.17 1.58 0.00 13.87 1.21 61 H C S 126.59 3.70 17.78 22.15 113.22 28.13 -109.93 101.12 89.76 7.58 2.66 21.42 42.12 26.92 0.35 2.28 0.00 5.74 1.17 62 F C C 86.74 14.22 10.89 24.59 114.93 123.54 -104.05 126.71 76.19 14.64 9.18 30.70 24.65 22.65 2.15 6.86 0.06 9.26 3.67 63 N C C 111.82 3.75 16.22 21.10 105.11 -146.42 -93.91 51.84 77.99 13.68 8.33 34.85 21.21 23.37 1.78 6.43 0.02 10.37 1.96 64 A C C 51.20 11.80 11.83 24.14 122.67 147.38 -108.25 143.99 65.48 20.89 13.63 41.63 15.29 9.92 3.28 10.05 0.05 17.43 2.35 65 Y C C 147.88 5.16 15.73 22.69 122.95 -162.96 -122.62 135.78 52.29 36.86 10.85 36.72 10.50 6.67 4.07 6.70 0.05 31.54 3.75 66 V C C 62.72 14.01 11.87 25.95 123.25 -170.09 -120.09 134.90 52.31 42.84 4.85 42.66 6.87 2.73 2.74 2.23 0.02 39.17 3.57 67 S C C 69.99 5.53 15.88 22.98 121.59 -171.15 -117.54 137.50 60.11 37.34 2.55 48.81 7.78 2.93 1.15 1.40 0.01 35.52 2.40 68 Y C C 109.88 10.53 12.79 24.09 125.82 -170.02 -128.31 138.63 67.41 30.09 2.50 49.00 13.99 4.84 0.90 1.70 0.01 26.23 3.33 69 D C C 88.59 5.89 14.92 22.20 113.31 -144.07 -92.77 124.33 81.68 16.13 2.19 55.71 18.62 7.49 0.52 1.75 0.00 13.99 1.93 70 S C C 54.33 9.91 12.33 23.04 108.17 -163.75 -91.11 68.60 88.93 6.75 4.32 37.31 32.08 20.37 0.59 3.70 0.00 4.55 1.40 71 K C S 136.06 4.41 17.36 22.51 97.09 49.72 -77.83 -17.67 92.36 4.28 3.37 15.66 44.25 33.08 0.29 2.91 0.00 3.08 0.73 72 N C S 60.47 11.75 16.05 28.09 104.45 41.02 -104.40 -1.13 75.66 22.31 2.04 22.46 31.23 22.96 0.16 1.94 0.00 20.31 0.95 73 F E E 43.86 16.31 16.81 33.24 131.89 60.70 -130.02 146.30 16.27 83.67 0.06 13.77 1.97 0.21 0.01 0.04 0.00 83.57 0.42 74 I E E 23.90 17.02 20.42 37.93 122.29 -162.02 -116.49 132.42 1.57 98.42 0.01 1.47 0.07 0.01 0.00 0.00 0.00 98.41 0.04 75 F E E 52.81 14.65 22.42 37.11 121.29 -161.03 -112.50 131.63 0.36 99.64 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.01 76 F E E 27.88 17.87 19.73 37.83 129.10 -175.63 -128.42 143.48 0.18 99.82 0.00 0.17 0.01 0.00 0.00 0.00 0.00 99.82 0.00 77 Y E E 84.77 12.08 19.77 32.37 120.44 -154.79 -113.06 129.42 0.71 99.29 0.00 0.65 0.03 0.00 0.00 0.00 0.00 99.29 0.03 78 E E E 54.92 13.82 16.11 30.30 113.03 -175.36 -126.46 100.30 13.91 86.01 0.08 10.80 2.11 0.45 0.01 0.06 0.00 86.34 0.23 79 G C T 46.41 3.61 18.38 22.42 109.53 -58.71 62.34 -126.46 99.27 0.44 0.29 0.75 15.88 82.69 0.01 0.31 0.00 0.32 0.05 80 Q C T 113.14 6.84 17.57 25.30 96.64 -15.21 -94.50 -0.58 99.59 0.20 0.21 0.69 14.85 84.06 0.00 0.23 0.00 0.14 0.02 81 L E E 31.36 16.85 17.20 34.40 122.48 88.30 -105.91 136.35 7.58 92.39 0.03 5.42 1.62 0.19 0.00 0.02 0.00 92.60 0.14 82 A E E 14.14 17.09 22.06 39.52 122.47 -160.42 -115.56 133.19 0.51 99.49 0.00 0.47 0.02 0.00 0.00 0.00 0.00 99.50 0.01 83 I E E 8.43 22.07 23.42 45.34 120.60 -165.00 -117.15 128.50 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 84 L E E 15.46 18.26 26.63 44.78 115.96 -158.04 -104.66 124.20 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 85 L E E 7.10 23.60 23.14 46.48 119.98 -166.41 -112.80 128.76 0.30 99.70 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.73 0.00 86 Y E E 34.29 16.05 23.67 39.66 127.63 -170.84 -123.82 143.75 0.95 99.05 0.00 0.84 0.04 0.00 0.00 0.00 0.00 99.08 0.03 87 R E E 76.67 14.87 18.42 33.06 118.56 -139.68 -100.33 133.61 13.59 86.39 0.02 12.44 0.76 0.08 0.00 0.02 0.00 86.14 0.55 88 K C C 95.28 10.53 15.76 26.72 117.04 -166.24 -107.77 134.29 84.35 15.59 0.06 82.40 0.73 0.40 0.01 0.04 0.00 15.94 0.47 89 G C C 50.44 3.87 17.35 21.86 109.74 -22.58 80.02 -8.27 99.91 0.08 0.01 99.61 0.23 0.10 0.00 0.00 0.00 0.05 0.01