# 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 93.80 10.08 13.74 24.41 115.79 -160.75 -94.14 132.38 99.85 0.14 0.01 99.80 0.09 0.02 0.00 0.00 0.00 0.07 0.01 1 L C C 96.93 7.03 13.20 21.58 114.01 -143.46 -91.35 126.92 91.84 7.65 0.51 89.14 1.81 1.27 0.23 0.18 0.00 3.47 3.90 2 N C C 83.92 9.39 12.93 23.30 115.94 -154.04 -104.52 122.62 94.85 4.93 0.22 66.98 27.49 0.90 0.10 0.12 0.00 2.61 1.80 3 P C C 42.23 11.46 13.53 26.22 116.63 -115.14 -69.82 153.68 98.68 1.03 0.29 88.02 10.03 0.80 0.14 0.10 0.00 0.56 0.36 4 P C C 65.24 4.69 19.58 24.71 111.42 -102.59 -67.70 143.65 95.49 3.14 1.37 93.41 1.43 0.71 1.05 0.20 0.00 0.87 2.33 5 L H H 49.41 17.68 11.21 28.16 93.18 -129.29 -60.64 -36.35 10.75 0.15 89.10 3.36 2.15 5.59 78.45 10.27 0.03 0.06 0.08 6 N H H 110.57 2.53 17.07 20.25 91.45 58.40 -64.51 -32.98 5.93 0.04 94.03 0.65 0.61 4.28 83.33 11.06 0.02 0.02 0.01 7 Q H H 103.38 2.98 17.62 20.65 93.39 51.03 -71.01 -32.25 4.09 0.04 95.87 0.51 0.41 2.86 83.34 12.83 0.01 0.03 0.01 8 L H H 15.43 19.19 11.04 30.02 92.91 55.60 -68.46 -34.80 4.61 0.07 95.32 0.89 0.65 2.96 86.79 8.63 0.02 0.04 0.02 9 T H H 57.56 11.76 13.37 25.64 91.81 60.82 -65.38 -30.77 11.85 0.13 88.01 1.27 0.99 8.77 73.41 15.36 0.06 0.08 0.06 10 S H H 93.21 0.86 18.15 17.01 91.79 56.90 -74.07 -20.42 28.73 0.07 71.19 0.98 1.53 25.52 60.88 10.92 0.06 0.04 0.07 11 Q H H 99.83 6.01 15.20 22.17 99.19 43.19 -94.68 -20.66 36.06 0.09 63.85 1.34 3.20 31.31 57.37 6.58 0.06 0.04 0.10 12 I C C 30.87 17.17 8.01 24.39 128.57 44.38 -129.38 142.78 91.15 1.51 7.34 66.20 20.24 3.45 7.47 0.70 0.00 0.34 1.60 13 K C S 170.43 0.85 16.90 16.47 95.29 -142.77 -77.10 -25.05 99.24 0.26 0.50 29.82 66.36 3.12 0.34 0.13 0.00 0.10 0.14 14 S C S 47.43 4.50 17.61 23.09 135.08 13.06 -145.65 158.82 96.90 1.47 1.63 37.78 57.59 1.31 1.41 0.23 0.00 0.27 1.41 15 K H H 99.02 12.57 14.03 26.77 92.40 -122.70 -61.71 -35.82 1.57 0.00 98.43 0.18 0.27 1.04 98.09 0.42 0.00 0.00 0.00 16 Y H H 136.50 4.97 19.19 24.44 91.46 54.99 -63.89 -40.91 0.90 0.00 99.09 0.09 0.07 0.70 98.68 0.46 0.00 0.00 0.00 17 L H H 61.91 6.79 20.58 28.30 91.72 49.11 -65.46 -40.91 0.20 0.00 99.80 0.04 0.01 0.13 99.51 0.31 0.00 0.00 0.00 18 I H H 15.42 19.48 17.30 36.88 91.65 50.81 -63.15 -43.52 0.07 0.00 99.93 0.01 0.00 0.04 99.91 0.04 0.00 0.00 0.00 19 A H H 29.80 13.85 21.61 35.47 91.54 49.96 -64.39 -42.25 0.06 0.00 99.94 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 20 T H H 64.80 4.75 25.92 30.31 91.45 49.28 -64.32 -42.59 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 21 T H H 28.28 11.67 23.66 36.10 91.59 49.24 -64.33 -43.25 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 22 A H H 6.36 21.60 20.40 41.94 91.25 50.17 -63.60 -42.50 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 23 A H H 36.75 10.22 23.88 34.40 91.30 51.20 -62.95 -42.04 0.08 0.00 99.92 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 24 K H H 104.89 3.72 26.88 30.39 91.55 49.89 -64.02 -41.97 0.15 0.00 99.85 0.01 0.00 0.11 99.87 0.01 0.00 0.00 0.00 25 R H H 49.61 14.59 22.43 36.80 91.79 49.41 -64.91 -41.61 0.26 0.00 99.74 0.02 0.01 0.16 99.78 0.02 0.00 0.00 0.00 26 A H H 10.01 18.96 18.14 37.35 91.54 51.91 -62.61 -42.46 0.31 0.00 99.69 0.04 0.02 0.18 99.70 0.07 0.00 0.00 0.00 27 R H H 119.35 3.83 24.14 27.46 91.35 50.37 -63.29 -41.79 0.81 0.00 99.19 0.07 0.04 0.60 99.07 0.22 0.00 0.00 0.00 28 E H H 82.74 4.83 21.67 26.77 91.70 49.80 -64.55 -40.93 2.24 0.01 97.75 0.22 0.15 1.73 97.47 0.43 0.00 0.00 0.00 29 I H H 19.18 17.29 13.92 31.72 91.76 50.74 -65.10 -39.84 4.96 0.02 95.02 0.86 0.50 3.41 94.36 0.86 0.00 0.01 0.01 30 D H H 75.03 8.97 16.03 25.74 91.86 52.67 -68.03 -31.95 14.97 0.04 84.99 2.07 1.34 11.06 84.39 1.09 0.01 0.02 0.02 31 E H H 139.86 1.44 16.68 17.31 93.95 51.32 -77.79 -22.32 33.05 0.10 66.86 3.51 4.67 24.19 66.25 1.25 0.03 0.03 0.07 32 Q C C 85.08 6.14 11.83 19.67 110.45 50.05 -112.67 92.14 84.93 0.35 14.72 37.11 35.65 10.54 14.91 1.38 0.00 0.09 0.32 33 P C C 85.95 6.11 11.04 19.03 97.43 -166.60 -63.82 -20.96 85.47 0.27 14.25 55.15 8.03 22.54 7.60 6.33 0.00 0.14 0.21 34 E C C 131.98 3.41 14.03 18.21 95.14 61.74 -78.13 -9.29 82.23 0.42 17.35 56.59 8.81 17.14 9.46 7.47 0.00 0.19 0.33 35 T C C 51.90 10.92 10.56 22.24 100.57 84.09 -83.20 -3.94 74.43 0.52 25.05 57.98 8.29 8.64 13.37 11.12 0.00 0.25 0.35 36 E C C 120.61 3.66 16.17 20.70 95.63 61.08 -68.46 -13.81 67.50 0.82 31.68 50.51 6.75 10.19 17.21 14.46 0.00 0.42 0.46 37 L C C 62.43 10.12 14.31 25.51 94.61 59.91 -74.24 -22.89 63.58 1.30 35.11 43.81 7.77 11.93 18.60 16.48 0.00 0.67 0.73 38 L C C 34.85 17.28 10.14 26.55 96.61 63.09 -75.93 -18.53 59.54 1.01 39.45 41.78 7.99 9.61 18.22 21.32 0.00 0.50 0.57 39 S C C 81.35 2.80 15.55 19.35 93.97 73.76 -68.85 -27.43 62.83 0.81 36.36 29.88 12.51 20.13 14.97 21.59 0.01 0.36 0.56 40 E C C 137.12 2.18 16.18 18.56 98.63 45.50 -90.84 -1.45 64.13 1.11 34.76 29.86 12.89 21.36 12.81 21.86 0.01 0.51 0.70 41 Y C C 67.28 17.09 8.52 24.20 113.74 112.27 -87.86 126.88 80.22 1.71 18.08 62.89 9.97 7.20 8.97 9.06 0.00 0.86 1.05 42 H C C 145.79 2.42 17.04 20.08 102.62 -175.34 -98.48 4.17 86.63 2.04 11.33 63.33 13.40 9.69 5.96 5.26 0.00 0.98 1.38 43 S C C 39.25 12.56 10.51 23.56 119.53 110.92 -96.90 144.59 91.75 1.08 7.18 65.77 13.70 12.31 3.23 3.74 0.00 0.52 0.73 44 F C C 154.40 3.57 16.28 21.03 98.00 -151.00 -86.42 -12.20 95.07 0.47 4.46 43.71 42.88 8.59 2.68 1.63 0.00 0.16 0.36 45 K C S 99.31 6.88 18.50 26.32 115.82 90.37 -87.80 135.06 94.75 0.60 4.65 31.67 60.90 1.78 4.66 0.37 0.00 0.13 0.49 46 P H H 39.01 15.97 18.01 33.96 92.90 -129.58 -60.73 -38.19 7.07 0.03 92.90 1.50 1.46 3.94 92.46 0.62 0.01 0.01 0.02 47 V H H 23.38 20.51 20.38 39.77 92.34 53.90 -64.03 -40.40 3.13 0.01 96.86 0.47 0.29 2.08 96.64 0.52 0.00 0.00 0.00 48 G H H 15.73 10.92 23.47 35.20 91.26 51.25 -63.43 -42.15 1.39 0.01 98.60 0.37 0.12 0.77 98.31 0.42 0.00 0.00 0.00 49 R H H 75.97 10.07 26.33 36.95 91.89 49.88 -64.79 -41.70 0.14 0.00 99.86 0.03 0.01 0.07 99.83 0.06 0.00 0.00 0.00 50 A H H 3.12 23.46 21.23 44.73 91.43 51.23 -63.31 -43.75 0.07 0.00 99.93 0.01 0.00 0.03 99.93 0.02 0.00 0.00 0.00 51 L H H 24.49 18.88 24.47 42.66 91.45 50.14 -63.58 -42.05 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 52 E H H 70.31 6.90 26.50 34.07 91.66 50.31 -63.72 -42.25 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 53 E H H 25.25 12.66 21.35 35.27 91.54 49.69 -63.59 -42.58 0.13 0.00 99.87 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 54 I H H 12.83 21.08 16.91 38.07 91.63 48.97 -63.95 -43.28 0.31 0.00 99.69 0.02 0.01 0.24 99.62 0.11 0.00 0.00 0.00 55 A H H 51.02 10.91 18.24 29.54 90.86 50.98 -64.61 -33.42 2.77 0.00 97.23 0.05 0.06 2.75 96.95 0.18 0.00 0.00 0.00 56 D C T 92.76 3.15 18.85 22.05 91.48 51.46 -85.16 -6.15 78.09 0.01 21.90 0.17 0.65 76.56 22.25 0.35 0.00 0.00 0.01 57 G C T 45.12 7.49 14.54 23.41 93.45 -113.65 77.73 13.09 99.77 0.01 0.22 0.53 1.41 97.94 0.08 0.03 0.00 0.00 0.00 58 K C S 109.09 5.80 18.46 25.41 94.73 122.80 -79.74 -19.49 99.53 0.36 0.11 22.17 75.73 1.70 0.03 0.08 0.00 0.15 0.13 59 I C S 15.18 22.91 11.70 34.08 123.47 48.74 -121.69 134.84 86.16 13.52 0.33 34.86 50.49 2.06 0.10 0.25 0.00 8.48 3.76 60 R C C 134.19 4.22 24.48 29.54 124.12 -168.17 -124.82 131.77 86.23 13.73 0.04 81.68 4.59 0.13 0.01 0.03 0.00 12.57 0.98 61 P C C 38.58 20.57 13.10 32.73 114.56 -120.86 -71.93 138.72 80.14 19.65 0.20 76.38 3.39 0.48 0.06 0.15 0.00 17.42 2.12 62 V C C 75.04 6.60 20.29 27.69 120.19 -164.29 -113.75 132.07 70.70 28.94 0.36 64.68 5.16 0.51 0.17 0.23 0.00 21.78 7.46 63 I C C 78.29 12.60 13.15 26.15 115.95 -136.51 -95.25 129.28 87.52 11.87 0.62 81.89 4.84 0.66 0.26 0.34 0.00 10.26 1.75 64 S C C 43.14 7.79 12.66 22.12 119.89 -141.28 -89.79 158.63 90.69 1.90 7.41 83.55 4.57 3.10 2.94 4.00 0.00 1.26 0.59 65 S C G 90.04 2.29 12.65 16.03 93.22 -118.62 -66.07 -25.20 49.55 1.03 49.42 23.36 9.74 16.81 13.37 35.74 0.00 0.56 0.42 66 D H G 105.68 2.25 13.96 16.82 95.36 63.71 -75.98 -16.53 45.21 1.25 53.55 17.82 8.58 19.04 15.93 37.42 0.01 0.68 0.51 67 Y H G 71.37 13.42 10.11 23.39 100.65 55.81 -91.34 -5.12 44.01 2.49 53.50 22.31 8.84 13.79 16.74 35.98 0.03 1.38 0.93 68 Y C C 113.69 9.20 10.81 20.87 108.48 88.12 -88.65 89.57 65.67 3.99 30.34 32.12 15.29 19.41 18.28 10.81 0.09 1.82 2.19 69 G C C 52.44 2.92 12.28 16.45 106.87 26.86 77.99 3.94 82.62 2.04 15.34 37.31 17.99 28.58 7.48 6.61 0.01 1.04 0.98 70 K C C 143.99 2.83 10.02 14.59 111.10 106.80 -88.00 123.81 90.32 1.55 8.13 78.14 3.83 9.39 3.94 3.03 0.00 0.85 0.83 71 E C C 140.17 2.99 11.48 16.24 109.58 -125.50 -84.15 121.79 99.81 0.11 0.08 99.59 0.15 0.14 0.04 0.01 0.00 0.06 0.02