# 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 109.95 4.67 12.47 18.36 108.14 58.74 -82.64 114.72 99.68 0.10 0.23 99.52 0.12 0.11 0.16 0.01 0.00 0.04 0.02 1 I C C 98.92 4.28 10.34 16.17 103.57 89.59 -77.84 -10.64 61.90 0.92 37.18 57.11 1.18 3.57 36.16 1.24 0.00 0.40 0.35 2 R H H 142.23 3.14 12.13 16.31 97.31 63.48 -67.91 -39.56 37.69 0.53 61.78 29.16 4.01 4.76 59.69 1.95 0.00 0.23 0.19 3 E H H 105.63 5.37 12.39 19.05 94.05 54.63 -66.00 -39.11 15.55 0.27 84.19 9.85 2.35 4.12 80.59 2.87 0.00 0.14 0.08 4 E H H 106.48 3.43 14.39 18.75 92.53 51.41 -65.80 -39.26 8.72 0.17 91.12 4.57 1.35 3.19 87.51 3.21 0.01 0.10 0.05 5 R H H 119.35 4.26 15.86 21.11 92.47 51.46 -65.83 -39.50 7.01 0.15 92.84 3.25 1.06 3.08 89.23 3.24 0.01 0.09 0.04 6 L H H 51.51 11.23 14.77 26.92 92.54 51.21 -65.42 -40.19 5.32 0.14 94.54 2.09 0.74 2.72 90.72 3.59 0.01 0.10 0.03 7 L H H 62.70 9.81 16.49 27.20 92.18 52.35 -65.24 -38.26 5.11 0.19 94.70 1.76 0.71 2.80 89.51 5.01 0.02 0.15 0.04 8 K H H 112.53 4.51 20.11 25.02 92.13 54.27 -65.75 -37.35 8.99 0.55 90.46 2.37 1.18 5.55 83.27 7.01 0.05 0.43 0.12 9 V H H 43.81 12.84 17.75 31.08 93.10 52.21 -67.60 -37.13 13.55 1.76 84.68 2.99 1.91 8.99 77.12 6.98 0.17 1.51 0.32 10 L H H 41.52 17.76 17.21 34.49 95.56 55.99 -76.92 -16.46 20.46 15.03 64.51 5.65 3.64 12.38 59.87 4.99 0.40 10.64 2.43 11 R E E 116.88 9.64 20.38 29.93 99.06 75.85 -85.92 -2.31 35.06 42.88 22.05 17.61 8.53 9.74 21.25 2.92 0.62 28.06 11.26 12 A C C 43.02 12.56 16.90 29.71 121.35 110.41 -101.71 138.21 74.88 24.24 0.89 47.47 27.02 1.29 0.56 0.35 0.00 21.46 1.85 13 P C C 60.91 11.64 17.21 29.16 114.54 -105.50 -66.71 147.69 76.81 22.05 1.15 66.49 7.63 1.67 0.56 0.58 0.00 20.85 2.21 14 H C C 97.98 10.80 17.72 28.90 111.63 -131.16 -87.84 123.46 68.51 30.29 1.20 53.73 11.94 1.84 0.69 0.67 0.01 20.54 10.57 15 V C C 45.35 16.51 12.02 28.09 123.82 61.89 -109.85 139.66 80.06 19.15 0.78 69.00 10.12 0.78 0.52 0.35 0.00 12.59 6.64 16 S C C 49.73 5.38 16.15 22.59 124.04 -132.90 -85.07 169.18 95.24 3.97 0.79 90.07 5.20 0.36 0.71 0.13 0.00 2.58 0.94 17 E H H 150.37 1.67 14.86 17.20 91.12 -97.23 -58.81 -37.08 10.79 0.09 89.11 1.69 2.83 6.80 86.97 1.57 0.05 0.03 0.05 18 K H H 133.39 2.25 17.07 19.53 91.73 52.25 -64.78 -39.35 9.49 0.09 90.42 1.35 1.43 7.00 88.15 1.92 0.05 0.04 0.04 19 A H H 15.92 16.53 12.44 29.25 92.17 49.69 -65.99 -40.28 6.05 0.15 93.80 2.09 1.07 3.27 91.28 2.14 0.02 0.09 0.04 20 S H H 41.45 9.08 16.22 26.47 92.07 52.48 -63.85 -41.09 4.46 0.15 95.39 2.01 0.76 1.89 94.01 1.20 0.01 0.08 0.04 21 T H H 75.27 1.86 20.39 20.58 92.21 49.95 -64.58 -41.25 4.90 0.23 94.88 1.78 0.82 2.56 93.59 1.04 0.02 0.13 0.06 22 A H H 28.18 8.01 15.38 25.51 92.22 50.97 -64.93 -40.98 4.51 0.26 95.23 1.58 0.79 2.39 94.04 0.98 0.03 0.14 0.06 23 M H H 48.34 15.01 12.31 27.28 92.84 51.27 -65.16 -40.48 5.24 0.22 94.54 1.73 0.80 2.92 92.99 1.34 0.03 0.13 0.06 24 E H H 134.41 2.49 16.44 19.47 92.98 49.07 -67.26 -37.92 7.16 0.11 92.73 1.36 0.79 5.02 91.20 1.49 0.03 0.06 0.03 25 K H H 154.49 1.05 16.41 16.17 95.80 42.46 -76.96 -32.95 13.39 0.10 86.51 1.34 1.51 10.62 85.07 1.31 0.06 0.04 0.05 26 S H H 57.03 6.25 14.45 21.86 102.10 26.20 -105.29 -2.95 34.14 0.15 65.70 3.84 6.31 23.29 65.16 1.18 0.06 0.04 0.12 27 N C T 91.31 7.76 16.90 25.92 94.63 -121.90 56.88 39.06 99.21 0.47 0.33 26.91 13.88 58.50 0.08 0.19 0.00 0.38 0.06 28 T E E 25.53 14.30 18.18 33.41 128.67 132.07 -119.47 148.74 44.27 55.70 0.03 39.22 3.73 0.12 0.01 0.02 0.00 56.36 0.54 29 I E E 13.65 20.03 20.79 41.10 116.90 -134.25 -101.54 129.05 7.03 92.97 0.01 7.18 0.14 0.01 0.00 0.00 0.00 92.50 0.17 30 V E E 23.37 15.83 25.07 41.12 118.84 -157.87 -109.54 128.30 3.08 96.92 0.00 3.15 0.03 0.00 0.00 0.00 0.00 96.78 0.04 31 L E E 6.03 24.06 20.67 44.70 124.51 -169.67 -118.58 135.86 0.69 99.31 0.00 0.64 0.01 0.00 0.00 0.00 0.00 99.34 0.01 32 K E E 69.13 11.73 27.04 39.11 116.00 -147.16 -101.38 126.24 0.33 99.67 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.01 33 V E E 5.84 24.22 16.72 41.20 132.40 178.42 -131.05 151.25 1.85 98.15 0.00 1.88 0.03 0.00 0.00 0.00 0.00 97.92 0.17 34 A E E 25.26 10.11 21.10 32.68 113.35 -102.37 -67.46 141.83 40.79 59.17 0.04 40.52 0.74 0.13 0.01 0.04 0.00 57.78 0.78 35 K C T 106.24 11.77 16.13 28.38 91.43 -124.78 -62.31 -27.94 98.80 0.71 0.49 0.54 4.27 94.22 0.02 0.43 0.00 0.45 0.08 36 D C T 115.16 1.46 21.01 21.37 93.68 57.25 -88.98 0.32 99.43 0.21 0.36 0.56 3.67 95.24 0.01 0.36 0.00 0.14 0.02 37 A C C 10.74 20.97 9.19 29.75 116.42 123.30 -69.95 142.17 99.22 0.69 0.10 76.13 23.03 0.18 0.03 0.06 0.00 0.28 0.30 38 T C C 67.91 3.01 23.96 25.56 124.47 -137.31 -90.00 164.38 89.86 10.02 0.12 89.78 0.59 0.02 0.09 0.01 0.00 1.14 8.37 39 K H H 94.31 14.73 14.18 28.51 91.05 -106.84 -57.79 -38.79 0.72 0.00 99.28 0.08 0.08 0.42 99.32 0.09 0.00 0.00 0.00 40 A H H 71.23 2.11 21.45 22.61 91.50 53.01 -63.88 -40.46 0.25 0.00 99.75 0.02 0.01 0.17 99.72 0.08 0.00 0.00 0.00 41 E H H 80.87 8.02 20.81 29.34 91.88 48.75 -65.57 -40.62 0.07 0.00 99.93 0.01 0.00 0.04 99.90 0.05 0.00 0.00 0.00 42 I H H 2.34 26.48 14.91 42.10 91.14 49.43 -63.64 -43.78 0.03 0.00 99.97 0.00 0.00 0.01 99.98 0.01 0.00 0.00 0.00 43 K H H 81.35 13.42 21.71 34.29 91.29 50.94 -61.76 -42.13 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 44 A H H 54.44 2.59 25.27 26.57 91.50 50.14 -63.49 -42.35 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 45 A H H 11.32 14.73 20.52 36.28 91.49 50.08 -64.10 -42.72 0.04 0.00 99.96 0.00 0.00 0.03 99.97 0.00 0.00 0.00 0.00 46 V H H 2.34 26.07 16.15 42.77 91.44 49.58 -64.35 -42.88 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 47 Q H H 81.75 9.48 19.34 29.19 91.76 51.20 -63.65 -40.50 0.10 0.00 99.90 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 48 K H H 136.61 2.14 21.44 22.99 92.30 49.09 -66.65 -39.27 0.45 0.00 99.55 0.02 0.01 0.43 99.47 0.07 0.00 0.00 0.00 49 L H H 44.04 15.19 16.82 31.77 96.24 40.90 -78.40 -37.04 1.81 0.00 98.19 0.03 0.05 1.75 98.08 0.08 0.00 0.00 0.00 50 F H H 30.30 18.77 14.12 32.72 104.31 25.36 -111.29 1.45 21.05 0.05 78.90 1.44 2.83 15.61 79.74 0.32 0.02 0.01 0.04 51 E C T 147.67 1.96 21.14 22.86 95.46 -124.95 54.05 46.01 99.59 0.12 0.29 23.65 12.65 63.38 0.14 0.09 0.00 0.07 0.03 52 V C C 21.17 18.70 11.18 29.91 129.85 132.04 -124.46 151.05 93.41 6.55 0.04 75.94 17.24 0.25 0.01 0.03 0.00 6.17 0.37 53 E C C 120.12 2.73 24.20 26.36 112.37 -123.81 -87.43 128.32 87.11 12.87 0.02 87.05 0.55 0.04 0.00 0.01 0.00 12.14 0.19 54 V E E 19.78 23.36 9.97 32.49 113.01 -144.08 -87.94 123.96 34.18 65.78 0.04 36.03 0.22 0.02 0.01 0.02 0.00 62.73 0.96 55 E E E 112.97 3.29 21.14 24.64 98.89 -173.73 -89.58 -34.44 35.11 64.86 0.03 17.51 17.53 0.28 0.00 0.02 0.00 64.50 0.16 56 V E E 68.94 5.22 22.69 28.58 138.74 1.10 -152.12 150.66 6.05 93.93 0.02 4.17 1.31 0.11 0.00 0.01 0.00 94.35 0.05 57 V E E 30.95 22.77 11.81 33.41 125.55 -167.22 -130.88 131.62 2.51 97.49 0.00 2.28 0.08 0.00 0.00 0.00 0.00 97.61 0.03 58 N E E 71.75 5.57 24.38 30.13 126.85 -175.13 -126.79 143.02 2.94 97.06 0.00 2.57 0.10 0.00 0.00 0.00 0.00 97.31 0.02 59 T E E 43.90 19.17 13.41 31.55 124.08 -156.22 -117.12 136.39 2.71 97.29 0.00 2.50 0.07 0.00 0.00 0.00 0.00 97.41 0.03 60 L E E 62.62 8.64 18.96 28.82 123.29 -166.51 -119.71 135.41 1.32 98.68 0.00 1.19 0.05 0.00 0.00 0.00 0.00 98.71 0.06 61 V E E 72.34 10.15 15.98 27.24 116.38 -144.77 -101.99 124.59 2.49 97.50 0.00 2.20 0.13 0.01 0.00 0.00 0.00 97.59 0.07 62 V E E 47.81 11.39 13.18 26.12 120.33 -168.34 -112.09 132.77 11.58 88.40 0.02 11.03 0.46 0.04 0.00 0.01 0.00 88.11 0.35 63 K E E 143.94 2.75 16.94 20.73 113.59 -135.10 -86.90 131.57 35.87 64.04 0.09 29.76 4.23 0.51 0.01 0.07 0.00 65.09 0.32 64 G E E 28.44 11.97 10.27 22.38 126.85 -133.25 -96.62 168.10 39.39 60.53 0.08 31.00 6.72 0.71 0.01 0.07 0.00 61.10 0.38 65 K E E 128.81 2.98 16.25 20.12 122.21 -100.29 -109.50 146.06 14.50 85.45 0.05 13.58 0.78 0.08 0.01 0.03 0.00 85.06 0.46 66 V E E 85.64 8.34 10.34 20.13 117.68 -129.95 -96.03 133.17 6.58 93.40 0.02 6.31 0.22 0.02 0.00 0.01 0.00 93.21 0.22 67 K E E 105.15 4.55 11.94 18.49 124.23 -171.15 -122.31 141.06 3.23 96.75 0.02 2.85 0.20 0.03 0.00 0.01 0.00 96.81 0.09 68 R E E 158.91 3.16 9.16 14.60 116.17 -135.61 -97.14 128.23 7.13 92.84 0.03 6.14 0.55 0.09 0.01 0.02 0.00 93.01 0.19 69 H E E 123.35 2.94 8.32 13.17 114.51 -176.93 -124.51 106.82 28.11 71.74 0.15 23.49 3.05 0.68 0.03 0.11 0.00 72.08 0.56 70 G C T 65.72 0.37 10.59 9.64 108.69 -50.41 62.93 -125.28 98.90 0.72 0.38 6.88 23.92 68.02 0.03 0.45 0.00 0.61 0.09 71 Q C T 165.68 0.38 9.21 8.71 97.36 -19.40 -90.79 -0.11 99.01 0.58 0.41 7.14 24.06 67.72 0.03 0.48 0.00 0.50 0.08 72 R E E 146.99 2.36 8.77 13.13 122.45 87.82 -106.63 141.75 24.28 75.61 0.11 17.91 6.49 0.83 0.02 0.10 0.00 73.72 0.94 73 I E E 115.08 4.07 9.07 15.41 119.97 -150.77 -106.88 135.97 9.99 89.99 0.02 8.56 0.72 0.08 0.00 0.01 0.00 90.42 0.20 74 G E E 31.96 4.84 12.58 19.16 135.52 152.77 -154.22 174.86 5.28 94.71 0.01 4.24 0.58 0.06 0.00 0.00 0.00 95.03 0.08 75 R E E 149.65 4.37 12.85 19.35 121.22 -93.50 -107.38 143.32 4.25 95.74 0.01 3.93 0.22 0.02 0.00 0.00 0.00 95.39 0.44 76 R E E 102.91 10.02 11.51 22.55 122.02 -155.31 -106.74 145.31 30.20 69.75 0.05 28.58 1.12 0.11 0.01 0.03 0.00 69.47 0.67 77 S C C 61.10 6.12 14.92 22.31 115.45 -118.91 -83.83 152.45 64.40 35.51 0.08 48.82 11.80 1.09 0.01 0.10 0.00 37.85 0.34 78 D C C 71.90 8.65 15.85 25.28 107.72 -126.24 -92.31 96.26 66.53 33.37 0.10 47.01 15.36 1.36 0.01 0.11 0.00 35.82 0.32 79 W E E 74.21 13.01 16.07 29.80 126.78 129.00 -116.90 147.70 16.65 83.34 0.02 15.27 0.92 0.05 0.00 0.01 0.00 83.22 0.52 80 K E E 40.63 15.86 18.11 34.39 123.76 -155.65 -116.26 139.22 2.71 97.29 0.00 2.44 0.11 0.00 0.00 0.00 0.00 97.38 0.07 81 K E E 60.87 12.85 22.94 35.86 123.54 -147.67 -112.19 138.87 0.95 99.05 0.00 0.85 0.03 0.00 0.00 0.00 0.00 99.09 0.02 82 A E E 5.19 22.84 18.08 41.40 126.85 -166.14 -120.75 141.69 0.96 99.04 0.00 0.92 0.02 0.00 0.00 0.00 0.00 99.04 0.02 83 Y E E 53.78 11.66 25.69 38.12 120.53 -155.38 -113.26 131.30 0.53 99.47 0.00 0.47 0.02 0.00 0.00 0.00 0.00 99.49 0.01 84 V E E 5.85 24.13 18.57 43.26 121.82 -166.22 -116.38 132.80 0.48 99.52 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.53 0.01 85 T E E 33.30 10.07 24.87 35.80 124.95 -168.19 -119.71 142.27 1.60 98.40 0.00 1.50 0.04 0.00 0.00 0.00 0.00 98.39 0.07 86 L E E 25.69 19.90 14.01 33.76 116.91 -143.90 -98.30 133.34 18.32 81.63 0.04 16.86 1.14 0.09 0.01 0.03 0.00 81.09 0.78 87 K C C 110.64 5.65 16.97 23.69 118.46 -144.90 -94.79 145.00 65.15 34.77 0.08 62.71 1.04 0.19 0.02 0.05 0.00 35.27 0.72 88 E C C 132.83 4.53 15.20 21.50 110.24 -98.77 -71.71 135.56 99.82 0.18 0.01 99.77 0.08 0.02 0.00 0.00 0.00 0.12 0.01