# 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 P C C 96.52 3.64 14.53 19.30 108.83 -100.90 -69.33 132.87 99.96 0.02 0.01 99.74 0.16 0.08 0.00 0.00 0.00 0.01 0.01 1 H C C 113.94 7.85 9.85 18.97 114.59 -135.17 -91.25 129.90 96.38 1.75 1.88 92.61 1.48 2.71 0.56 0.88 0.00 0.82 0.94 2 R C C 162.70 2.85 13.02 17.30 108.84 -160.10 -96.13 85.65 94.71 2.72 2.57 68.86 18.79 6.81 0.55 2.13 0.00 1.43 1.43 3 Y C C 93.63 12.69 8.77 21.36 119.33 -123.28 -100.31 134.68 94.66 3.69 1.65 73.20 18.01 2.66 0.56 1.06 0.00 1.32 3.19 4 R C C 141.96 3.68 14.34 19.51 117.89 -141.54 -95.76 140.28 99.13 0.51 0.37 87.26 11.05 0.77 0.17 0.14 0.00 0.16 0.44 5 P C T 98.38 4.85 12.23 18.69 109.85 -100.87 -61.12 138.96 95.42 0.19 4.39 6.04 6.11 83.62 2.07 1.91 0.00 0.08 0.16 6 G C T 54.90 2.60 14.90 18.19 97.53 22.53 85.55 -3.16 94.32 0.17 5.51 7.00 7.24 80.44 2.80 2.32 0.00 0.09 0.12 7 T C C 42.16 9.57 11.31 22.66 115.59 122.14 -82.92 144.64 79.30 2.73 17.96 60.54 15.54 2.38 17.17 1.47 0.00 0.66 2.24 8 V H H 84.73 4.28 17.07 22.28 94.02 -138.11 -63.54 -38.75 4.60 0.04 95.36 1.80 0.88 1.97 94.57 0.74 0.00 0.02 0.02 9 A H H 32.21 10.83 16.03 28.02 92.07 53.11 -64.27 -41.08 2.35 0.03 97.62 0.73 0.29 1.27 96.88 0.80 0.00 0.01 0.01 10 L H H 43.79 11.32 15.78 28.32 91.92 49.73 -65.15 -40.76 0.92 0.01 99.07 0.30 0.10 0.45 98.55 0.59 0.00 0.01 0.00 11 R H H 114.51 3.78 19.45 23.57 91.75 51.37 -64.16 -41.20 0.46 0.00 99.54 0.13 0.04 0.21 99.43 0.19 0.00 0.00 0.00 12 E H H 82.70 5.54 19.42 25.68 91.71 50.31 -64.61 -41.38 0.58 0.00 99.42 0.11 0.04 0.32 99.39 0.13 0.00 0.00 0.00 13 I H H 35.24 14.03 16.13 30.93 92.10 50.16 -64.63 -42.02 0.64 0.00 99.36 0.11 0.05 0.36 99.34 0.13 0.00 0.00 0.00 14 R H H 114.01 5.75 19.00 25.56 91.73 51.63 -63.65 -41.03 0.80 0.00 99.19 0.14 0.06 0.46 99.07 0.25 0.00 0.00 0.00 15 R H H 127.54 2.67 19.78 22.07 92.11 50.27 -64.80 -41.04 2.09 0.01 97.90 0.29 0.16 1.43 97.57 0.53 0.00 0.00 0.00 16 Y H H 68.48 10.88 15.75 27.69 92.50 49.46 -66.49 -39.49 4.36 0.02 95.62 0.78 0.47 2.83 95.11 0.79 0.01 0.01 0.01 17 Q H H 70.67 11.83 15.17 27.34 92.46 53.56 -65.21 -38.32 9.63 0.06 90.31 2.25 1.15 5.87 88.93 1.73 0.02 0.03 0.03 18 K H H 140.52 1.84 18.66 19.93 92.90 51.31 -69.31 -34.49 23.60 0.10 76.30 2.68 2.43 18.05 74.41 2.30 0.03 0.04 0.06 19 S H H 54.06 4.97 16.87 22.59 99.76 45.46 -87.54 -19.91 47.27 0.24 52.49 14.56 5.43 26.90 50.12 2.74 0.01 0.09 0.15 20 T H H 32.14 16.09 13.14 28.91 94.80 72.06 -65.81 -38.80 14.73 0.12 85.15 7.63 2.90 4.53 82.81 2.02 0.00 0.05 0.05 21 E H H 105.55 6.29 17.70 24.95 93.05 58.53 -63.61 -39.30 5.72 0.05 94.23 1.57 0.83 3.29 91.55 2.71 0.01 0.03 0.01 22 L H H 78.37 3.55 18.98 22.72 92.47 51.31 -65.37 -40.89 3.76 0.05 96.19 1.00 0.51 2.29 92.89 3.24 0.01 0.03 0.01 23 L H H 37.24 12.41 16.10 29.57 92.55 50.71 -65.43 -41.48 2.59 0.03 97.38 0.66 0.33 1.55 93.89 3.54 0.00 0.02 0.01 24 I H H 31.96 17.20 14.65 31.71 92.58 50.52 -65.73 -38.69 3.91 0.02 96.07 0.46 0.32 2.88 89.34 6.97 0.01 0.01 0.00 25 R H H 143.60 4.25 18.76 23.98 92.46 53.98 -67.73 -29.70 18.70 0.02 81.27 0.60 0.74 17.53 75.41 5.67 0.02 0.01 0.02 26 K H H 121.47 4.44 18.47 23.46 95.98 49.61 -88.87 -11.33 42.18 0.05 57.77 1.51 2.43 37.96 52.91 5.09 0.03 0.02 0.05 27 L C C 28.64 18.29 12.15 29.97 109.32 98.43 -80.13 110.79 70.68 0.27 29.05 36.36 28.23 4.17 29.65 1.32 0.00 0.06 0.21 28 P H H 61.94 6.32 20.68 27.81 93.76 -145.38 -63.31 -34.81 19.98 0.08 79.93 6.88 2.26 10.55 77.69 2.53 0.01 0.03 0.05 29 F H H 39.81 17.39 17.55 34.41 92.72 54.40 -66.09 -38.24 7.65 0.03 92.31 2.07 0.81 4.56 90.24 2.29 0.01 0.02 0.02 30 Q H H 57.05 14.15 18.62 32.50 91.93 54.27 -63.38 -40.52 1.29 0.01 98.70 0.47 0.14 0.59 97.71 1.10 0.00 0.00 0.00 31 R H H 120.48 3.97 23.06 26.83 91.78 50.89 -64.82 -40.94 0.68 0.00 99.32 0.18 0.06 0.36 98.96 0.45 0.00 0.00 0.00 32 L H H 42.95 10.72 20.61 32.14 91.96 50.62 -64.55 -42.46 0.52 0.00 99.47 0.11 0.04 0.29 99.32 0.24 0.00 0.00 0.00 33 V H H 12.65 20.07 17.37 37.36 91.72 50.23 -63.88 -42.55 0.36 0.00 99.64 0.06 0.02 0.20 99.60 0.12 0.00 0.00 0.00 34 R H H 106.43 8.58 20.91 29.90 91.52 51.37 -63.15 -41.25 0.45 0.00 99.54 0.06 0.03 0.28 99.48 0.14 0.00 0.00 0.00 35 E H H 94.47 3.11 22.69 25.02 91.65 49.76 -64.59 -41.66 0.99 0.00 99.00 0.11 0.06 0.68 98.88 0.25 0.00 0.00 0.00 36 I H H 29.33 12.80 18.05 32.00 92.31 49.36 -65.06 -41.82 1.82 0.01 98.18 0.25 0.15 1.20 97.83 0.56 0.00 0.00 0.00 37 A H H 14.64 15.77 13.79 30.41 91.74 52.30 -64.65 -38.51 4.75 0.02 95.23 0.74 0.39 3.27 93.26 2.32 0.01 0.01 0.01 38 Q H H 114.89 2.84 17.80 21.05 92.41 53.32 -65.96 -36.26 17.46 0.03 82.50 1.13 1.02 15.12 78.33 4.35 0.02 0.02 0.02 39 D H H 96.65 2.84 16.55 19.69 94.32 51.40 -75.50 -26.05 30.35 0.08 69.57 2.38 2.42 25.34 65.87 3.88 0.03 0.03 0.05 40 F C H 71.20 12.44 10.63 23.34 101.91 55.37 -92.26 8.24 62.06 0.75 37.19 28.90 13.56 20.16 33.03 3.57 0.02 0.24 0.53 41 K C C 141.95 3.54 13.62 18.62 102.19 -110.93 -66.82 50.52 84.78 0.75 14.47 56.95 9.41 17.85 11.48 3.47 0.00 0.34 0.50 42 T C C 85.82 5.08 11.21 17.78 108.96 100.66 -93.26 63.67 82.13 0.80 17.08 41.82 22.63 17.85 10.96 5.87 0.00 0.32 0.54 43 D C C 100.45 3.91 13.04 17.84 105.33 58.55 -85.54 71.68 77.47 0.88 21.65 46.13 17.17 14.19 12.97 8.60 0.00 0.36 0.58 44 L C C 89.97 8.34 11.44 20.81 101.30 103.57 -77.38 10.93 63.27 1.35 35.38 39.02 11.61 12.16 20.00 15.86 0.01 0.67 0.66 45 R C C 141.11 4.74 16.11 21.84 101.52 87.37 -79.28 1.62 58.25 2.86 38.89 36.78 10.14 10.98 24.29 15.09 0.02 1.60 1.11 46 F C C 64.31 15.13 11.96 26.69 104.74 74.71 -86.57 48.11 56.22 3.49 40.29 39.78 9.05 7.46 29.25 11.22 0.02 1.88 1.35 47 Q C C 88.83 7.04 17.28 25.00 109.95 120.71 -82.25 138.72 55.55 1.28 43.17 45.01 5.72 4.36 41.04 2.80 0.00 0.58 0.49 48 S H H 64.56 6.81 15.73 23.50 94.67 -114.06 -64.86 -38.37 12.27 0.11 87.62 6.27 2.62 3.57 86.35 1.11 0.00 0.04 0.04 49 S H H 67.45 2.87 19.78 22.22 92.93 51.78 -66.53 -39.17 4.24 0.03 95.73 1.61 0.63 1.90 95.08 0.76 0.00 0.01 0.01 50 A H H 21.36 12.46 16.68 30.33 92.28 50.70 -65.30 -41.70 1.60 0.02 98.39 0.64 0.19 0.71 97.94 0.51 0.00 0.01 0.00 51 V H H 24.35 16.85 16.85 33.72 91.92 49.92 -64.06 -42.38 0.70 0.01 99.29 0.26 0.07 0.31 99.14 0.21 0.00 0.00 0.00 52 M H H 91.65 4.40 22.57 27.02 91.52 50.25 -63.88 -41.48 0.44 0.00 99.55 0.15 0.04 0.20 99.51 0.10 0.00 0.00 0.00 53 A H H 45.09 5.24 22.13 27.76 91.54 50.68 -64.13 -42.01 0.35 0.00 99.64 0.09 0.03 0.18 99.63 0.07 0.00 0.00 0.00 54 L H H 26.48 17.48 18.75 36.08 92.03 50.01 -64.62 -41.84 0.21 0.00 99.79 0.05 0.02 0.11 99.79 0.04 0.00 0.00 0.00 55 Q H H 63.17 14.24 20.44 34.02 91.67 51.18 -62.73 -41.80 0.16 0.00 99.84 0.03 0.01 0.08 99.85 0.02 0.00 0.00 0.00 56 E H H 109.72 2.80 24.59 26.66 91.67 49.82 -64.58 -41.29 0.16 0.00 99.84 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 57 A H H 36.83 7.91 21.94 30.68 91.78 49.86 -64.88 -41.76 0.21 0.00 99.79 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 58 C H H 12.78 19.08 17.96 37.15 91.58 50.32 -64.14 -41.86 0.34 0.00 99.66 0.04 0.01 0.20 99.70 0.05 0.00 0.00 0.00 59 E H H 81.66 10.75 21.55 32.18 91.64 51.71 -63.33 -41.04 0.25 0.00 99.75 0.02 0.01 0.16 99.77 0.04 0.00 0.00 0.00 60 A H H 58.09 3.36 23.48 26.25 91.62 51.00 -64.70 -40.94 0.20 0.00 99.80 0.02 0.01 0.14 99.79 0.05 0.00 0.00 0.00 61 Y H H 78.95 11.63 21.50 33.08 92.21 49.28 -65.37 -41.61 0.22 0.00 99.78 0.02 0.01 0.15 99.76 0.06 0.00 0.00 0.00 62 L H H 23.76 19.39 18.98 37.84 91.81 49.59 -64.30 -42.42 0.30 0.00 99.70 0.03 0.01 0.20 99.67 0.09 0.00 0.00 0.00 63 V H H 62.37 7.85 22.18 30.48 91.81 50.65 -63.90 -41.96 0.52 0.00 99.48 0.05 0.03 0.36 99.40 0.16 0.00 0.00 0.00 64 G H H 29.13 4.97 22.40 27.82 91.78 50.81 -64.07 -41.45 2.34 0.00 97.66 0.19 0.12 1.82 97.34 0.52 0.00 0.00 0.00 65 L H H 27.70 16.18 19.21 35.38 92.28 50.08 -65.39 -41.91 4.64 0.01 95.35 0.43 0.32 3.62 94.56 1.05 0.01 0.00 0.00 66 F H H 47.11 16.62 18.60 34.74 92.43 50.62 -65.23 -40.39 7.96 0.08 91.95 1.81 1.11 5.00 90.05 1.94 0.03 0.04 0.04 67 E H H 112.29 3.95 22.63 26.69 92.20 51.69 -65.79 -38.43 17.31 0.18 82.51 3.43 2.18 11.52 80.43 2.22 0.04 0.09 0.09 68 D H H 68.28 8.02 21.12 29.36 95.03 47.50 -73.80 -30.99 31.53 0.27 68.20 7.41 4.14 19.65 65.99 2.52 0.03 0.12 0.14 69 T H H 21.42 19.54 17.02 35.62 95.75 54.62 -74.14 -31.52 38.03 0.66 61.31 14.38 6.91 17.53 57.16 3.35 0.05 0.29 0.33 70 N H H 73.24 10.49 21.95 32.13 94.12 73.63 -64.15 -34.56 28.48 0.63 70.89 11.66 4.29 13.36 66.37 3.69 0.04 0.33 0.27 71 L H H 68.32 6.96 23.06 30.18 92.67 54.04 -65.50 -41.44 12.71 0.61 86.69 4.91 2.29 6.37 80.28 5.48 0.08 0.41 0.18 72 C H H 18.67 14.70 18.73 34.12 92.43 50.91 -65.54 -41.13 7.96 0.90 91.14 3.02 1.37 4.18 83.64 6.77 0.08 0.78 0.15 73 A H H 17.65 13.90 16.71 31.72 92.43 52.30 -64.54 -40.51 8.23 1.29 90.48 3.20 1.38 4.23 82.97 6.70 0.09 1.25 0.19 74 I H H 86.66 5.25 19.56 25.15 92.76 50.11 -66.16 -40.57 11.82 1.70 86.48 3.70 1.92 6.89 80.50 5.04 0.17 1.47 0.29 75 H H H 104.45 5.99 18.04 24.67 93.38 48.36 -70.26 -31.41 22.87 1.60 75.53 5.59 3.76 14.56 70.78 3.46 0.30 1.07 0.48 76 A C H 32.20 13.14 12.36 26.03 96.83 51.77 -82.30 -7.80 60.13 1.20 38.67 14.63 10.03 34.63 36.64 2.88 0.07 0.55 0.57 77 K C T 160.62 2.01 17.62 20.08 95.30 -125.24 57.26 32.20 82.87 0.59 16.54 16.34 14.30 51.70 13.91 3.12 0.01 0.27 0.34 78 R C C 109.47 8.49 14.14 23.64 127.23 115.19 -119.24 147.91 89.20 1.58 9.22 32.79 27.96 28.75 5.94 3.05 0.00 0.75 0.76 79 V C C 92.10 7.86 14.98 23.81 99.21 -147.90 -89.94 -9.88 90.61 4.52 4.87 46.50 35.84 8.71 2.50 2.27 0.00 2.70 1.47 80 T C C 73.31 4.93 20.73 26.20 127.28 59.89 -119.86 144.62 89.62 7.12 3.26 57.34 27.12 5.58 1.27 1.98 0.00 4.90 1.81 81 I C C 35.14 20.65 11.86 31.75 111.11 -127.86 -89.17 120.19 90.45 6.75 2.80 72.78 15.45 1.84 1.37 1.52 0.00 3.34 3.71 82 M C C 72.99 6.91 19.67 27.30 125.57 -168.05 -105.88 156.55 97.88 0.41 1.70 92.05 5.47 0.17 1.93 0.06 0.00 0.13 0.20 83 P H H 82.06 6.42 16.50 24.18 90.81 -107.64 -57.68 -38.24 2.64 0.00 97.36 0.32 0.25 1.80 96.88 0.75 0.00 0.00 0.00 84 K H H 118.14 3.79 20.54 24.82 91.49 54.38 -64.11 -38.67 1.15 0.00 98.85 0.13 0.07 0.79 98.31 0.70 0.00 0.00 0.00 85 D H H 15.01 18.86 16.36 35.31 91.98 50.79 -65.16 -41.28 0.31 0.00 99.69 0.06 0.02 0.16 99.24 0.51 0.00 0.00 0.00 86 I H H 24.74 17.38 18.48 35.78 91.56 50.80 -64.13 -41.83 0.11 0.00 99.89 0.02 0.00 0.06 99.81 0.11 0.00 0.00 0.00 87 Q H H 92.19 3.64 24.92 28.12 91.42 50.71 -63.34 -42.26 0.13 0.00 99.87 0.02 0.00 0.07 99.86 0.05 0.00 0.00 0.00 88 L H H 33.41 10.63 21.77 33.61 91.66 50.27 -64.00 -42.46 0.17 0.00 99.83 0.01 0.01 0.10 99.82 0.06 0.00 0.00 0.00 89 A H H 4.95 20.93 16.91 38.49 91.29 51.38 -62.72 -42.87 0.32 0.00 99.68 0.04 0.02 0.19 99.64 0.11 0.00 0.00 0.00 90 R H H 89.25 9.14 20.42 30.11 91.51 51.17 -63.49 -41.01 0.94 0.00 99.05 0.12 0.06 0.62 98.84 0.35 0.00 0.00 0.00 91 R H H 131.23 3.21 20.86 24.07 91.97 50.70 -64.96 -40.68 2.12 0.01 97.86 0.27 0.15 1.51 97.38 0.69 0.00 0.00 0.00 92 I H H 45.65 14.03 15.96 30.30 92.61 49.87 -67.23 -37.68 6.32 0.04 93.64 0.54 0.52 5.04 93.12 0.72 0.01 0.02 0.01 93 R H H 91.34 11.70 14.81 26.83 95.31 46.91 -81.80 -9.62 39.47 0.19 60.34 2.08 3.40 32.91 59.97 1.40 0.06 0.06 0.11 94 G C T 51.37 3.55 15.20 19.77 100.14 -101.74 77.51 9.16 76.84 0.34 22.82 10.36 8.42 56.86 20.94 3.07 0.00 0.13 0.22 95 E C C 109.47 5.68 11.27 18.56 106.72 119.10 -84.52 57.64 77.74 1.13 21.13 43.96 14.37 19.42 14.32 6.74 0.00 0.50 0.69 96 R C C 152.24 4.49 10.79 17.07 110.78 79.43 -90.18 117.64 85.00 1.06 13.94 70.26 2.87 12.94 9.23 3.51 0.00 0.52 0.66 97 A C C 73.10 5.32 12.56 19.48 110.21 -138.24 -87.01 129.59 99.90 0.04 0.06 99.78 0.08 0.08 0.02 0.00 0.00 0.02 0.00