# 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 A C C 63.40 7.62 17.61 25.68 113.14 -145.64 -85.99 129.80 99.93 0.05 0.02 99.83 0.08 0.05 0.01 0.00 0.00 0.02 0.01 1 I C C 40.65 17.20 9.13 25.42 117.24 -132.61 -94.36 135.28 97.25 0.78 1.97 95.28 1.22 0.74 1.89 0.13 0.00 0.24 0.49 2 S C C 55.62 2.81 15.89 18.97 119.82 -122.15 -77.54 161.41 96.65 0.41 2.93 93.50 2.22 0.79 2.95 0.18 0.00 0.12 0.24 3 Q H H 128.11 3.74 11.72 17.49 91.76 -109.91 -59.00 -38.12 4.66 0.01 95.33 1.45 0.95 1.99 95.04 0.55 0.00 0.00 0.01 4 E H H 135.38 1.07 15.46 15.42 92.14 52.86 -64.82 -40.09 2.56 0.01 97.43 0.58 0.33 1.42 97.08 0.59 0.00 0.00 0.00 5 R H H 98.11 7.06 14.89 23.32 92.18 48.25 -66.32 -39.76 1.40 0.00 98.59 0.45 0.16 0.70 98.08 0.61 0.00 0.00 0.00 6 K H H 51.13 15.93 13.33 29.11 91.45 52.25 -62.65 -42.21 0.56 0.00 99.44 0.14 0.05 0.27 99.39 0.15 0.00 0.00 0.00 7 N H H 78.19 4.45 19.40 24.38 91.60 50.48 -64.54 -40.04 0.48 0.00 99.52 0.08 0.03 0.25 99.55 0.08 0.00 0.00 0.00 8 E H H 96.02 2.49 21.50 22.86 91.79 50.40 -64.41 -41.64 0.40 0.00 99.60 0.05 0.02 0.23 99.60 0.08 0.00 0.00 0.00 9 I H H 16.46 15.79 16.85 33.67 91.87 49.43 -63.87 -43.35 0.46 0.00 99.54 0.06 0.03 0.28 99.51 0.12 0.00 0.00 0.00 10 I H H 27.91 17.24 16.29 33.59 91.61 49.96 -63.37 -41.70 0.49 0.00 99.51 0.05 0.03 0.33 99.30 0.29 0.00 0.00 0.00 11 K H H 132.91 2.33 20.84 22.90 91.59 50.81 -64.29 -39.73 1.59 0.00 98.41 0.09 0.07 1.35 96.56 1.93 0.00 0.00 0.00 12 E H H 107.54 3.70 20.53 24.24 92.50 49.09 -68.23 -36.76 6.86 0.00 93.13 0.17 0.23 6.59 90.60 2.40 0.00 0.00 0.00 13 Y H H 40.80 16.73 14.26 30.96 98.67 39.20 -93.76 -15.05 19.03 0.04 80.93 1.37 1.60 15.85 77.79 3.31 0.03 0.01 0.03 14 A C T 35.27 14.85 12.55 27.44 97.99 83.89 -68.35 -11.33 72.25 0.53 27.22 27.34 6.66 39.29 21.15 4.92 0.00 0.20 0.45 15 R C T 168.30 2.33 17.49 20.05 96.06 66.70 -84.85 -13.43 83.92 0.51 15.57 21.19 17.76 45.45 8.58 6.36 0.00 0.20 0.46 16 H C S 95.30 6.27 12.01 20.05 121.51 84.56 -96.14 147.02 94.51 1.14 4.34 38.03 51.95 4.30 2.09 1.81 0.00 0.25 1.56 17 E C T 155.48 1.81 14.16 16.97 104.03 -107.40 -64.06 123.65 97.89 0.13 1.97 1.27 6.92 89.93 0.33 1.40 0.00 0.07 0.09 18 G C T 56.39 2.57 15.93 19.19 96.03 27.62 79.38 -0.18 99.12 0.10 0.79 2.70 5.79 90.59 0.09 0.73 0.00 0.06 0.04 19 D C C 35.43 16.36 10.51 26.68 103.48 122.92 -82.13 81.02 98.34 1.19 0.47 93.36 3.95 0.88 0.11 0.33 0.00 0.36 1.01 20 T C C 77.55 7.42 18.56 26.70 99.76 157.53 -95.83 -1.03 99.28 0.34 0.38 62.98 6.80 29.51 0.10 0.23 0.00 0.16 0.23 21 G C T 34.40 11.37 18.28 29.56 97.80 -53.78 73.92 3.94 99.17 0.42 0.42 22.32 37.60 39.27 0.09 0.33 0.00 0.18 0.21 22 S C C 37.50 8.85 20.25 30.35 117.32 131.42 -76.69 143.19 99.46 0.26 0.28 81.95 17.27 0.14 0.26 0.03 0.00 0.04 0.30 23 P H H 42.74 16.55 17.48 33.89 92.08 -128.50 -59.78 -36.64 1.45 0.00 98.55 0.14 0.18 0.92 98.60 0.16 0.00 0.00 0.00 24 E H H 92.79 10.42 22.15 32.49 91.73 55.20 -63.75 -40.31 0.55 0.00 99.45 0.04 0.03 0.38 99.41 0.13 0.00 0.00 0.00 25 V H H 29.98 13.73 21.61 35.60 92.27 48.86 -65.94 -41.86 0.10 0.00 99.90 0.01 0.00 0.05 99.86 0.07 0.00 0.00 0.00 26 Q H H 39.11 17.51 22.90 39.28 91.84 50.73 -63.85 -42.92 0.05 0.00 99.95 0.00 0.00 0.02 99.94 0.03 0.00 0.00 0.00 27 I H H 20.98 19.06 23.11 41.56 91.49 49.55 -63.79 -43.05 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 28 A H H 27.18 11.17 25.26 37.09 91.64 50.51 -63.61 -42.29 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 29 V H H 30.89 13.64 24.73 38.52 91.62 49.58 -64.30 -43.04 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 30 L H H 16.55 20.46 22.64 42.44 91.83 49.77 -64.43 -42.69 0.14 0.00 99.86 0.01 0.01 0.07 99.90 0.01 0.00 0.00 0.00 31 T H H 34.51 14.27 23.24 37.15 91.86 50.63 -64.18 -42.07 0.15 0.00 99.85 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 32 E H H 77.44 6.65 24.99 32.05 91.67 49.90 -64.29 -42.35 0.11 0.00 99.89 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 33 D H H 39.43 13.06 22.62 35.59 91.98 49.38 -64.78 -41.67 0.19 0.00 99.81 0.02 0.01 0.11 99.85 0.02 0.00 0.00 0.00 34 I H H 15.43 19.93 18.87 38.68 91.69 50.31 -63.83 -42.32 0.21 0.00 99.79 0.02 0.01 0.13 99.82 0.03 0.00 0.00 0.00 35 N H H 76.62 5.99 23.59 29.71 91.46 50.96 -63.87 -40.61 0.39 0.00 99.61 0.03 0.01 0.25 99.66 0.04 0.00 0.00 0.00 36 Q H H 81.82 5.01 23.20 28.28 91.73 49.80 -65.15 -40.87 0.71 0.00 99.29 0.05 0.03 0.49 99.37 0.06 0.00 0.00 0.00 37 L H H 16.15 18.22 17.40 35.88 92.03 50.79 -64.51 -41.55 0.41 0.00 99.59 0.04 0.02 0.26 99.60 0.08 0.00 0.00 0.00 38 N H H 51.54 11.53 19.09 31.11 91.59 52.31 -63.20 -41.22 0.41 0.00 99.59 0.04 0.02 0.26 99.57 0.11 0.00 0.00 0.00 39 E H H 106.04 1.90 22.76 22.65 91.80 50.10 -64.39 -41.39 0.70 0.00 99.30 0.05 0.03 0.52 99.15 0.25 0.00 0.00 0.00 40 H H H 55.57 8.21 17.59 27.43 92.18 49.29 -65.51 -40.12 1.02 0.00 98.98 0.07 0.06 0.81 98.53 0.53 0.00 0.00 0.00 41 A H H 16.94 15.74 11.85 28.16 91.72 52.69 -65.74 -36.96 2.32 0.00 97.68 0.16 0.15 1.89 96.73 1.07 0.00 0.00 0.00 42 R H H 160.48 2.07 16.50 18.91 92.54 50.99 -67.70 -34.45 9.97 0.00 90.03 0.33 0.48 9.14 88.91 1.12 0.01 0.00 0.00 43 T H H 98.63 1.44 15.53 16.23 96.75 42.52 -81.40 -30.99 19.16 0.02 80.82 0.70 2.08 16.09 80.26 0.85 0.02 0.00 0.02 44 H C C 85.86 7.55 10.19 19.16 109.72 37.34 -117.47 75.85 87.13 0.29 12.58 49.53 20.01 16.70 11.84 1.49 0.00 0.07 0.35 45 K C T 147.80 3.28 12.37 17.52 98.45 -162.04 -61.91 -12.72 97.61 0.13 2.27 15.19 10.28 72.27 0.76 1.35 0.00 0.06 0.09 46 K C T 154.47 2.21 13.73 16.41 97.09 55.63 -82.32 13.54 97.87 0.12 2.01 9.84 16.24 71.85 0.51 1.42 0.00 0.06 0.08 47 D C C 56.99 8.51 10.01 20.24 107.13 103.21 -93.77 103.77 97.58 0.25 2.18 90.85 5.73 1.23 1.24 0.62 0.00 0.07 0.26 48 H H H 131.30 2.83 14.01 18.36 94.18 -171.38 -65.85 -34.22 16.24 0.06 83.70 5.13 3.50 8.06 79.33 3.90 0.01 0.02 0.04 49 H H H 125.19 2.07 17.11 18.79 92.30 54.16 -65.55 -39.68 8.73 0.02 91.25 1.19 0.98 6.19 86.70 4.91 0.01 0.01 0.01 50 S H H 23.10 11.61 13.66 26.80 92.17 50.16 -65.58 -40.34 4.74 0.02 95.24 1.08 0.54 2.80 90.41 5.16 0.00 0.01 0.01 51 Y H H 88.48 10.83 16.30 27.71 91.80 52.07 -63.92 -41.03 2.74 0.01 97.24 0.87 0.37 1.35 95.46 1.93 0.00 0.01 0.00 52 R H H 132.75 2.00 21.97 22.49 91.78 50.58 -64.11 -41.91 0.97 0.00 99.02 0.18 0.09 0.54 98.91 0.27 0.00 0.00 0.00 53 G H H 22.37 6.59 19.06 27.07 91.86 50.74 -63.58 -42.06 1.02 0.00 98.98 0.14 0.08 0.63 98.91 0.24 0.00 0.00 0.00 54 L H H 23.84 17.41 15.67 33.27 92.11 50.23 -64.36 -41.60 0.63 0.00 99.37 0.09 0.04 0.39 99.30 0.18 0.00 0.00 0.00 55 M H H 95.92 5.79 20.74 27.14 91.65 50.86 -64.08 -40.81 0.37 0.00 99.63 0.05 0.02 0.22 99.60 0.11 0.00 0.00 0.00 56 K H H 126.28 1.97 22.49 23.02 92.01 49.56 -64.96 -41.14 0.57 0.00 99.43 0.05 0.03 0.38 99.43 0.11 0.00 0.00 0.00 57 K H H 55.27 13.05 18.71 32.00 91.98 48.93 -65.49 -40.96 0.92 0.00 99.08 0.09 0.05 0.65 99.07 0.15 0.00 0.00 0.00 58 I H H 33.54 15.26 17.73 33.29 91.95 50.44 -63.93 -42.33 0.66 0.00 99.34 0.08 0.04 0.43 99.34 0.11 0.00 0.00 0.00 59 G H H 32.80 3.08 22.06 24.69 91.38 51.49 -62.86 -42.56 0.83 0.00 99.17 0.10 0.04 0.53 99.21 0.11 0.00 0.00 0.00 60 H H H 90.46 5.35 21.92 27.52 91.64 49.38 -64.85 -41.11 0.61 0.00 99.39 0.06 0.03 0.40 99.42 0.09 0.00 0.00 0.00 61 R H H 40.89 18.26 17.32 35.01 91.88 50.87 -63.86 -41.38 0.24 0.00 99.76 0.03 0.01 0.14 99.77 0.05 0.00 0.00 0.00 62 R H H 115.96 8.14 21.21 29.83 91.33 51.57 -62.68 -41.16 0.12 0.00 99.88 0.01 0.01 0.07 99.88 0.03 0.00 0.00 0.00 63 N H H 91.32 2.23 24.22 24.94 91.61 49.98 -64.41 -41.40 0.13 0.00 99.87 0.01 0.00 0.08 99.86 0.04 0.00 0.00 0.00 64 L H H 26.75 14.60 20.03 35.12 91.60 49.93 -64.30 -42.75 0.14 0.00 99.86 0.01 0.00 0.10 99.84 0.05 0.00 0.00 0.00 65 L H H 17.62 18.96 17.94 36.90 91.51 50.68 -63.24 -41.53 0.18 0.00 99.82 0.01 0.01 0.11 99.80 0.07 0.00 0.00 0.00 66 A H H 49.99 3.68 22.89 26.28 91.16 51.79 -63.01 -42.05 0.47 0.00 99.53 0.03 0.02 0.35 99.40 0.21 0.00 0.00 0.00 67 Y H H 88.03 5.25 21.23 27.17 91.71 50.07 -63.98 -41.81 1.05 0.00 98.95 0.06 0.06 0.83 98.53 0.52 0.00 0.00 0.00 68 L H H 11.66 18.54 14.20 33.41 91.95 50.16 -65.21 -40.64 1.90 0.00 98.10 0.18 0.14 1.38 97.19 1.10 0.00 0.00 0.00 69 R H H 102.64 10.93 15.65 27.05 91.50 55.16 -64.76 -34.64 8.36 0.01 91.63 0.61 0.48 6.96 90.46 1.47 0.01 0.00 0.01 70 K H H 152.86 1.26 18.06 18.21 93.04 49.90 -73.14 -27.19 20.13 0.02 79.85 0.89 1.32 17.35 79.25 1.15 0.01 0.01 0.01 71 T H H 78.42 4.87 15.27 21.14 102.31 34.61 -98.39 -26.81 41.54 0.12 58.34 2.81 11.76 24.80 59.64 0.85 0.03 0.02 0.10 72 D C C 64.64 7.35 14.69 23.40 114.34 9.34 -135.51 91.62 97.62 0.23 2.15 93.54 2.03 2.00 2.00 0.20 0.00 0.06 0.17 73 I H H 74.86 11.41 12.15 24.58 93.97 -169.42 -63.23 -35.98 2.07 0.00 97.92 0.54 0.23 0.99 97.92 0.32 0.00 0.00 0.00 74 Q H H 124.96 1.39 19.41 19.45 91.55 54.08 -63.80 -41.22 0.78 0.00 99.22 0.06 0.05 0.56 99.03 0.30 0.00 0.00 0.00 75 R H H 94.90 6.50 18.43 25.93 91.81 48.77 -65.19 -40.79 0.27 0.00 99.73 0.03 0.01 0.17 99.52 0.27 0.00 0.00 0.00 76 Y H H 15.16 20.96 13.64 34.64 91.59 51.07 -62.88 -43.20 0.09 0.00 99.91 0.01 0.00 0.05 99.87 0.07 0.00 0.00 0.00 77 R H H 107.70 7.13 20.39 28.22 91.28 51.21 -62.88 -41.50 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 78 E H H 96.46 2.30 22.50 23.33 91.51 50.03 -63.64 -42.36 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 79 L H H 16.52 15.59 17.47 34.16 91.88 49.45 -64.09 -42.98 0.12 0.00 99.88 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 80 I H H 16.81 18.17 14.97 33.58 91.81 49.51 -63.76 -42.76 0.29 0.00 99.71 0.03 0.01 0.18 99.68 0.10 0.00 0.00 0.00 81 Q H H 121.81 2.07 18.98 20.87 91.69 49.62 -64.08 -40.81 0.93 0.00 99.07 0.06 0.04 0.70 98.83 0.36 0.00 0.00 0.00 82 R H H 144.34 3.19 17.57 21.35 91.46 51.23 -65.97 -34.25 4.87 0.00 95.13 0.14 0.16 4.57 94.65 0.47 0.00 0.00 0.00 83 L H H 35.46 16.09 12.31 28.67 93.65 48.20 -86.57 -7.52 48.68 0.03 51.28 0.61 1.60 45.66 51.06 1.03 0.01 0.01 0.03 84 G C T 50.97 2.47 19.85 22.02 96.69 -114.12 76.15 19.81 98.06 0.05 1.90 5.77 3.38 89.11 1.38 0.32 0.00 0.02 0.02 85 L C C 41.67 16.89 8.97 24.95 109.90 138.76 -90.45 108.29 95.54 0.70 3.76 78.83 9.10 7.81 1.84 1.65 0.00 0.33 0.45 86 R C C 150.68 3.78 14.31 19.67 116.76 -160.43 -99.17 138.28 95.15 1.84 3.01 88.33 2.04 5.37 1.37 1.02 0.00 0.87 1.00 87 R C C 154.95 5.37 13.85 21.08 110.19 -117.88 -77.91 130.41 99.97 0.03 0.01 99.92 0.05 0.02 0.00 0.00 0.00 0.01 0.00