# 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 G C C 38.26 6.03 14.93 22.05 110.79 10.05 44.21 137.03 99.88 0.05 0.07 99.65 0.15 0.12 0.03 0.01 0.00 0.02 0.01 1 F C C 124.51 6.34 11.13 18.60 98.03 47.96 -75.04 -24.30 59.41 0.74 39.84 39.03 3.09 17.60 32.71 6.72 0.00 0.34 0.50 2 F C H 138.45 3.55 11.50 16.30 98.00 61.42 -77.75 -20.64 54.86 0.62 44.52 19.92 10.28 26.05 35.53 7.50 0.03 0.26 0.43 3 S H H 70.50 3.22 13.99 18.04 96.66 67.83 -73.35 -30.72 40.40 0.58 59.01 21.83 7.49 12.32 50.76 7.00 0.02 0.26 0.32 4 F H H 88.36 8.86 12.89 22.73 94.44 59.68 -67.26 -38.47 13.31 0.18 86.50 7.30 2.92 4.10 83.46 2.04 0.01 0.07 0.09 5 I H H 81.76 7.35 15.55 23.54 92.89 51.85 -65.05 -40.69 4.31 0.04 95.64 1.91 0.60 1.79 94.60 1.06 0.00 0.02 0.01 6 G H H 35.76 3.00 18.73 21.70 92.33 50.78 -63.74 -42.35 2.11 0.02 97.87 0.59 0.24 1.15 97.16 0.84 0.00 0.01 0.00 7 E H H 85.79 6.55 19.29 26.55 92.29 49.85 -65.83 -40.00 1.52 0.01 98.47 0.35 0.17 0.90 97.88 0.70 0.01 0.00 0.00 8 A H H 24.68 14.38 16.21 31.44 92.09 51.66 -64.12 -41.87 1.86 0.01 98.13 0.33 0.17 1.18 97.72 0.58 0.01 0.00 0.00 9 F H H 107.78 5.29 22.17 27.44 91.71 49.80 -64.03 -41.17 2.69 0.01 97.30 0.39 0.22 1.83 96.96 0.58 0.01 0.00 0.00 10 Q H H 100.29 2.94 23.76 26.19 91.76 49.84 -64.79 -40.87 5.11 0.01 94.88 0.46 0.33 4.06 94.46 0.69 0.01 0.00 0.01 11 G H H 12.09 14.58 18.33 33.73 92.41 50.79 -64.09 -42.43 6.83 0.01 93.16 0.70 0.46 5.21 92.85 0.76 0.00 0.00 0.01 12 A H H 28.33 12.51 20.05 33.14 91.73 51.45 -63.74 -41.42 3.86 0.01 96.12 0.61 0.36 2.52 95.89 0.60 0.00 0.00 0.00 13 G H H 34.76 3.43 24.25 27.30 91.48 50.96 -63.30 -42.36 2.58 0.00 97.42 0.46 0.21 1.61 97.35 0.35 0.00 0.00 0.00 14 D H H 49.64 8.97 21.88 31.54 91.71 50.09 -65.29 -40.75 1.02 0.00 98.98 0.22 0.07 0.58 98.91 0.23 0.00 0.00 0.00 15 M H H 32.20 18.40 18.28 36.53 91.68 51.48 -63.92 -41.39 0.47 0.00 99.53 0.06 0.02 0.30 99.46 0.16 0.00 0.00 0.00 16 W H H 125.91 6.01 23.11 29.47 91.45 50.93 -63.49 -41.70 0.34 0.00 99.66 0.03 0.01 0.24 99.60 0.12 0.00 0.00 0.00 17 R H H 127.83 2.77 24.88 26.80 91.68 50.12 -64.39 -41.42 0.28 0.00 99.72 0.02 0.01 0.20 99.70 0.07 0.00 0.00 0.00 18 A H H 12.96 16.14 18.39 35.46 91.54 50.67 -63.97 -42.27 0.30 0.00 99.70 0.02 0.01 0.21 99.70 0.06 0.00 0.00 0.00 19 Y H H 60.28 15.16 19.63 34.49 91.46 50.90 -63.33 -42.15 0.27 0.00 99.73 0.02 0.01 0.17 99.74 0.05 0.00 0.00 0.00 20 T H H 71.75 2.63 23.90 25.33 91.52 49.94 -63.58 -42.20 0.25 0.00 99.75 0.02 0.01 0.16 99.76 0.04 0.00 0.00 0.00 21 D H H 53.49 6.59 21.03 28.49 91.65 49.50 -64.60 -41.49 0.31 0.00 99.69 0.03 0.01 0.21 99.69 0.06 0.00 0.00 0.00 22 M H H 14.86 19.49 13.62 33.59 91.71 50.76 -64.31 -42.06 0.41 0.00 99.59 0.04 0.02 0.29 99.49 0.15 0.00 0.00 0.00 23 K H H 110.55 6.46 17.68 25.27 91.47 50.51 -63.41 -40.53 0.80 0.00 99.20 0.06 0.04 0.62 98.93 0.35 0.00 0.00 0.00 24 E H H 144.95 1.15 19.02 18.77 90.94 52.55 -65.55 -30.83 4.02 0.00 95.97 0.09 0.13 3.81 95.52 0.45 0.00 0.00 0.00 25 A C T 42.14 9.80 12.80 24.12 92.63 54.66 -82.79 -6.65 59.74 0.02 40.23 0.44 1.16 57.14 40.33 0.89 0.01 0.00 0.02 26 G C T 53.08 2.19 18.98 20.98 96.85 -108.46 79.77 17.71 98.50 0.03 1.47 4.64 1.64 92.53 0.97 0.19 0.00 0.01 0.01 27 W C C 64.43 16.10 8.43 24.02 111.83 154.29 -84.09 123.89 94.61 2.71 2.69 87.46 4.10 2.77 1.23 1.17 0.00 0.96 2.32 28 K C T 144.95 2.55 16.82 20.29 114.42 -158.53 -83.92 138.66 95.80 1.35 2.85 14.22 10.42 71.34 0.73 1.89 0.00 0.61 0.80 29 D C T 117.72 2.02 17.57 19.73 94.93 3.50 61.27 33.42 96.57 0.50 2.93 8.51 15.54 72.64 0.62 2.15 0.00 0.25 0.29 30 G C C 19.76 15.83 10.36 25.73 108.59 140.62 -86.45 103.47 89.26 1.25 9.49 64.58 18.16 6.37 4.97 4.22 0.00 0.40 1.31 31 D C C 75.91 7.41 18.86 26.57 101.82 -127.98 -72.54 -41.64 63.04 1.14 35.82 39.22 13.68 11.17 25.26 9.23 0.01 0.38 1.06 32 K H H 109.65 9.82 18.96 28.71 93.05 -46.47 -65.22 -33.23 40.12 0.34 59.55 4.30 6.74 28.01 44.12 16.26 0.16 0.15 0.27 33 Y H H 76.02 13.93 18.64 32.23 92.71 52.69 -71.27 -32.79 34.60 0.61 64.79 4.56 4.89 23.69 48.60 17.30 0.26 0.32 0.38 34 F H H 47.92 15.59 19.43 34.71 93.22 53.33 -68.32 -38.27 30.16 1.92 67.92 7.61 6.28 16.65 50.82 15.89 0.77 0.99 0.99 35 H H H 67.11 13.15 22.36 35.10 94.65 48.27 -76.97 -27.26 37.63 2.21 60.15 11.18 7.76 19.76 44.81 13.68 0.48 1.12 1.21 36 A H H 22.31 16.94 19.41 36.19 96.35 71.05 -69.85 -28.67 46.78 2.13 51.09 16.69 9.72 21.12 34.79 15.31 0.18 1.03 1.16 37 R C T 102.97 11.47 24.55 35.59 98.01 53.02 -82.71 -10.94 57.56 2.09 40.35 14.21 11.37 32.00 26.87 12.97 0.24 1.02 1.32 38 G C T 16.75 18.69 19.69 36.93 107.24 70.52 -71.33 -14.60 73.83 2.98 23.19 25.73 20.79 28.31 13.08 8.81 0.06 1.17 2.06 39 N C C 45.19 14.78 21.76 35.98 106.02 28.24 -98.62 81.06 89.22 2.71 8.07 75.01 9.03 4.53 6.09 2.00 0.00 0.88 2.45 40 Y H H 85.75 14.99 19.33 33.70 94.54 149.49 -63.48 -37.41 12.54 0.16 87.30 3.40 3.35 7.03 82.87 3.10 0.09 0.06 0.10 41 D H H 89.44 2.99 25.21 27.86 91.99 52.75 -65.08 -40.03 7.82 0.04 92.14 0.94 0.96 5.86 86.95 5.16 0.08 0.02 0.02 42 A H H 16.49 13.28 18.65 33.24 91.85 50.71 -65.68 -39.59 3.87 0.03 96.11 0.52 0.40 2.72 89.40 6.92 0.02 0.02 0.01 43 A H H 8.59 21.67 13.66 35.48 91.63 54.47 -67.72 -31.12 5.95 0.03 94.03 0.71 0.57 4.28 87.11 7.29 0.01 0.02 0.01 44 Q H H 111.69 6.02 20.45 27.14 92.88 58.41 -77.06 -17.77 31.81 0.12 68.07 2.19 2.45 27.20 62.36 5.59 0.06 0.05 0.09 45 R C T 148.66 4.01 18.72 23.19 102.34 67.98 -86.98 -11.41 63.58 0.34 36.08 5.63 15.64 41.46 34.46 2.34 0.03 0.09 0.35 46 G C S 28.76 7.36 17.09 25.35 134.29 37.60 -119.37 177.67 94.30 0.14 5.55 13.62 74.75 5.18 5.77 0.48 0.00 0.03 0.16 47 P H H 101.09 3.14 19.93 23.41 95.83 -59.24 -63.86 -28.36 40.11 0.02 59.87 0.86 2.51 36.94 56.28 3.35 0.02 0.01 0.03 48 G H H 21.33 13.02 18.41 31.60 93.23 48.66 -66.15 -30.83 29.33 0.02 70.64 1.07 1.47 26.53 68.26 2.63 0.01 0.01 0.02 49 G H H 5.19 20.56 16.52 37.16 92.36 65.83 -63.47 -40.33 3.89 0.01 96.11 1.44 0.45 1.67 94.68 1.75 0.00 0.00 0.00 50 V H H 62.06 10.86 24.37 35.11 92.14 51.20 -64.19 -41.89 0.71 0.00 99.29 0.18 0.05 0.35 99.01 0.41 0.00 0.00 0.00 51 W H H 114.17 5.15 28.21 33.93 91.58 49.30 -64.01 -42.31 0.38 0.00 99.62 0.06 0.02 0.22 99.45 0.25 0.00 0.00 0.00 52 A H H 7.48 19.20 23.00 42.37 91.56 49.97 -63.68 -43.23 0.17 0.00 99.83 0.03 0.01 0.09 99.82 0.06 0.00 0.00 0.00 53 A H H 6.04 22.81 21.56 44.04 91.54 50.94 -63.07 -42.92 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 54 E H H 93.45 6.75 27.87 35.48 91.30 50.32 -63.34 -42.03 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 55 K H H 73.88 8.68 27.24 36.61 91.54 49.08 -64.10 -42.93 0.16 0.00 99.84 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 56 I H H 9.67 22.32 22.41 44.37 91.63 48.17 -64.78 -43.17 0.25 0.00 99.75 0.04 0.01 0.14 99.78 0.03 0.00 0.00 0.00 57 S H H 16.80 17.23 22.41 39.34 91.52 50.15 -63.38 -42.62 0.45 0.00 99.55 0.06 0.02 0.26 99.62 0.04 0.00 0.00 0.00 58 D H H 77.79 3.85 27.01 30.79 91.54 49.18 -64.81 -41.00 0.70 0.00 99.30 0.06 0.03 0.48 99.36 0.07 0.00 0.00 0.00 59 A H H 27.37 10.53 22.63 33.85 91.61 50.59 -64.77 -41.76 0.89 0.00 99.11 0.11 0.06 0.56 99.15 0.12 0.00 0.00 0.00 60 R H H 43.66 18.58 19.73 37.36 92.34 50.71 -64.68 -41.73 0.75 0.00 99.25 0.11 0.05 0.46 99.16 0.23 0.00 0.00 0.00 61 E H H 78.80 9.30 21.18 30.66 91.91 50.88 -63.29 -41.99 1.00 0.00 99.00 0.10 0.05 0.70 98.85 0.29 0.00 0.00 0.00 62 S H H 56.12 3.31 22.60 24.87 91.78 49.79 -64.63 -41.31 1.76 0.00 98.23 0.20 0.11 1.23 98.03 0.43 0.00 0.00 0.00 63 F H H 53.92 9.65 17.31 28.43 92.16 49.09 -65.57 -41.45 1.92 0.00 98.08 0.31 0.18 1.20 97.53 0.77 0.00 0.00 0.00 64 Q H H 41.55 13.27 12.91 26.96 92.00 51.73 -64.69 -40.25 2.00 0.01 97.99 0.35 0.18 1.26 97.10 1.10 0.00 0.00 0.00 65 E H H 134.30 2.10 16.25 18.67 92.19 50.86 -66.11 -38.37 3.43 0.01 96.56 0.37 0.26 2.54 95.19 1.62 0.00 0.00 0.00 66 F H H 147.28 2.08 15.33 17.15 96.25 43.61 -76.72 -36.65 8.61 0.03 91.37 0.59 0.78 6.93 90.42 1.25 0.01 0.01 0.01 67 F H H 112.65 5.07 13.10 19.56 98.92 30.16 -99.79 -10.75 25.80 0.14 74.06 2.75 5.40 17.76 72.95 0.95 0.05 0.03 0.11 68 G C C 52.77 2.38 15.73 18.58 101.63 -115.42 79.80 16.49 98.81 0.23 0.95 43.34 22.62 32.94 0.33 0.54 0.00 0.10 0.13 69 R C C 107.48 9.50 11.90 22.26 113.43 107.34 -102.68 111.16 97.25 0.66 2.08 73.01 19.27 4.93 1.12 0.82 0.00 0.23 0.62 70 G C C 27.54 7.14 15.43 23.84 123.96 -145.89 -109.50 173.52 90.78 0.36 8.86 72.26 13.38 4.70 7.73 1.49 0.00 0.11 0.32 71 H H H 129.51 4.58 15.91 21.51 93.24 -74.99 -64.27 -36.56 16.92 0.14 82.95 6.43 4.33 7.12 75.75 6.21 0.02 0.06 0.08 72 E H H 126.85 1.95 19.52 20.85 92.46 53.25 -65.62 -39.18 9.93 0.09 89.98 3.15 1.60 5.21 83.17 6.76 0.02 0.05 0.04 73 D H H 39.70 11.64 15.69 28.40 92.83 50.35 -66.58 -38.99 7.83 0.10 92.07 3.55 1.15 3.25 84.94 7.00 0.00 0.06 0.04 74 T H H 34.03 12.57 16.02 29.44 92.48 51.75 -65.11 -41.47 6.92 0.12 92.97 3.77 1.08 2.46 89.48 3.10 0.00 0.06 0.05 75 M H H 99.33 3.05 22.25 24.43 91.86 50.33 -63.82 -41.57 2.31 0.02 97.68 0.98 0.31 0.98 97.08 0.64 0.00 0.01 0.00 76 A H H 38.88 5.27 19.21 25.68 91.39 50.62 -63.45 -41.43 1.31 0.01 98.68 0.45 0.14 0.59 98.40 0.41 0.00 0.00 0.00 77 D H H 30.19 13.78 15.43 30.15 92.09 50.40 -64.54 -41.08 1.10 0.00 98.90 0.32 0.09 0.53 98.62 0.43 0.00 0.00 0.00 78 Q H H 81.66 5.94 18.14 25.06 91.72 51.17 -63.65 -41.20 0.96 0.00 99.04 0.23 0.08 0.51 98.72 0.46 0.00 0.00 0.00 79 E H H 118.57 1.84 19.13 20.00 91.94 49.85 -65.13 -40.17 1.90 0.00 98.09 0.28 0.14 1.25 97.62 0.71 0.00 0.00 0.00 80 A H H 42.21 9.50 13.32 24.16 92.20 51.94 -67.82 -32.60 9.29 0.01 90.70 0.54 0.47 7.69 90.37 0.93 0.00 0.00 0.01 81 N H H 80.93 9.03 12.70 22.56 96.18 51.56 -84.61 -4.88 44.36 0.05 55.59 6.00 0.91 34.85 57.19 0.99 0.00 0.01 0.04 82 R C C 155.47 3.77 15.39 20.49 102.27 99.88 -75.46 51.83 99.78 0.04 0.18 98.55 0.63 0.59 0.17 0.01 0.00 0.01 0.02