# 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 Q C C 114.06 5.02 13.57 20.13 115.04 -176.66 -100.81 132.08 99.84 0.10 0.06 99.71 0.10 0.09 0.03 0.00 0.00 0.04 0.01 1 N C C 110.31 3.52 12.56 17.46 108.80 -119.69 -89.19 99.23 88.06 3.07 8.87 82.00 1.68 4.15 8.29 0.97 0.00 1.53 1.37 2 I C C 69.08 11.04 8.84 20.40 109.44 -142.60 -89.72 112.83 79.98 3.73 16.30 67.97 6.96 3.70 16.58 1.50 0.00 1.92 1.39 3 T C C 71.73 4.61 14.58 20.07 106.11 99.05 -78.17 -36.57 66.37 1.81 31.83 58.56 4.22 2.48 32.24 1.09 0.00 0.75 0.66 4 E H H 112.22 6.04 12.83 20.09 94.29 -104.39 -63.70 -37.22 7.20 0.18 92.62 3.82 1.37 2.55 90.14 1.96 0.01 0.10 0.05 5 E H H 123.67 1.94 15.92 17.74 92.87 52.97 -65.95 -38.52 3.73 0.13 96.14 1.58 0.57 1.78 93.75 2.19 0.01 0.09 0.03 6 F H H 84.44 6.91 14.78 22.98 92.45 50.06 -65.99 -40.77 2.58 0.10 97.32 1.11 0.39 1.25 94.90 2.25 0.01 0.07 0.02 7 Y H H 67.09 13.00 14.03 27.49 92.46 50.45 -65.38 -40.97 2.60 0.10 97.29 1.16 0.40 1.21 96.00 1.14 0.01 0.07 0.02 8 Q H H 95.96 5.21 17.92 23.86 92.15 51.31 -64.49 -40.68 3.99 0.13 95.88 1.41 0.55 2.12 94.85 0.95 0.02 0.07 0.03 9 S H H 62.99 2.95 19.66 22.16 92.56 49.72 -66.52 -39.61 7.50 0.16 92.34 2.00 0.99 4.54 91.21 1.07 0.03 0.09 0.06 10 T H H 43.19 10.99 17.13 28.81 93.20 49.03 -67.57 -40.19 10.37 0.32 89.31 3.39 1.77 5.65 87.53 1.34 0.05 0.16 0.12 11 C H H 37.19 13.55 16.17 30.07 93.21 51.70 -66.39 -39.33 10.96 1.12 87.92 5.29 1.90 4.57 85.16 1.98 0.03 0.82 0.25 12 S H H 60.57 4.47 19.76 24.49 93.19 53.37 -67.54 -38.52 12.40 2.16 85.44 5.50 1.97 5.68 82.18 2.41 0.05 1.84 0.37 13 A H H 54.39 5.32 18.82 24.61 94.03 51.87 -68.92 -39.07 13.91 2.55 83.54 5.82 2.47 6.60 79.89 2.56 0.09 2.09 0.47 14 V H H 51.00 12.17 16.00 28.49 96.89 49.51 -71.46 -38.08 18.72 3.56 77.72 8.19 3.66 7.98 74.58 2.14 0.11 2.60 0.72 15 S H H 45.80 9.82 16.16 26.53 97.91 51.88 -70.97 -38.03 31.76 2.14 66.10 15.20 5.33 12.11 63.31 2.09 0.04 1.24 0.67 16 K H H 138.40 2.66 18.09 21.06 95.04 51.67 -67.65 -35.67 33.52 0.63 65.86 4.84 4.25 24.50 61.98 3.65 0.15 0.35 0.28 17 G H H 35.80 5.88 16.76 23.50 96.61 47.24 -67.91 -38.20 37.78 0.45 61.77 5.93 4.25 27.43 58.70 3.19 0.08 0.22 0.21 18 Y H H 82.52 11.84 14.56 26.76 96.01 51.73 -69.73 -38.74 18.65 1.09 80.26 9.31 3.41 7.33 75.54 3.33 0.06 0.70 0.32 19 L H H 79.37 7.78 16.04 24.71 95.59 53.44 -68.56 -37.15 8.63 1.05 90.32 4.39 1.45 3.64 86.10 3.27 0.05 0.89 0.20 20 S H H 62.34 3.53 17.34 21.09 95.72 53.24 -69.45 -37.54 7.04 2.21 90.76 3.09 1.08 3.41 86.21 3.66 0.08 2.23 0.24 21 A H H 44.65 7.72 13.76 22.89 96.15 54.65 -70.61 -36.26 6.22 2.56 91.22 2.55 0.99 3.22 86.74 3.70 0.07 2.52 0.21 22 L H H 74.34 9.55 12.17 22.52 98.99 53.82 -73.74 -29.16 8.85 2.54 88.61 3.49 1.36 4.77 83.67 3.96 0.10 2.36 0.29 23 R H H 161.32 2.74 13.74 17.46 96.36 56.79 -73.72 -20.84 18.34 1.81 79.85 4.05 2.37 12.65 75.80 3.21 0.14 1.39 0.40 24 T C H 93.40 2.68 12.57 16.07 99.07 50.78 -89.83 -0.48 54.28 0.66 45.06 4.91 6.71 41.33 43.66 2.64 0.10 0.28 0.36 25 G C T 49.59 4.03 12.51 17.91 100.19 -102.18 79.45 6.81 86.88 0.76 12.35 17.61 14.04 55.08 10.37 2.20 0.01 0.38 0.32 26 W C C 143.22 5.27 11.44 18.27 108.66 124.85 -88.25 78.08 68.35 3.27 28.38 41.78 12.98 12.88 24.93 4.40 0.02 1.97 1.05 27 Y C H 123.98 7.73 11.84 20.59 111.35 135.07 -97.80 109.65 46.36 7.47 46.17 28.73 9.56 9.39 39.60 5.43 0.08 5.91 1.29 28 T H H 82.43 5.30 13.53 20.02 111.07 57.94 -95.07 98.07 32.15 9.74 58.11 17.54 7.02 8.88 49.85 6.84 0.10 8.90 0.87 29 S H H 66.65 4.99 13.83 20.02 112.92 -146.17 -98.29 129.11 26.28 12.99 60.73 14.25 5.30 7.91 52.37 6.92 0.12 12.25 0.87 30 V H H 77.46 8.33 12.29 21.66 112.48 -145.44 -97.47 124.48 19.19 19.07 61.75 10.58 3.55 5.60 55.20 5.52 0.12 18.53 0.90 31 I H H 89.28 7.67 12.98 21.75 113.86 49.12 -99.29 123.94 19.57 26.61 53.82 10.90 3.28 5.07 49.03 4.57 0.09 26.07 0.99 32 T H H 85.58 4.71 14.70 20.42 113.22 -153.15 -99.58 115.91 24.55 31.08 44.37 14.63 3.36 5.81 40.50 4.03 0.06 30.51 1.09 33 I H E 78.74 9.40 11.66 22.08 113.95 54.84 -96.07 122.56 29.45 34.00 36.54 19.82 4.07 4.57 32.88 4.06 0.06 33.21 1.33 34 E C E 118.85 4.37 15.26 20.74 111.39 -143.65 -91.35 120.81 36.56 31.96 31.48 26.86 3.38 4.80 27.64 4.53 0.03 31.27 1.49 35 L H C 76.18 11.09 10.57 22.03 104.82 -169.31 -86.61 18.22 39.08 20.66 40.26 27.82 4.64 6.47 24.44 15.65 0.04 19.49 1.46 36 S C T 76.28 3.54 13.40 18.26 99.56 75.21 -74.89 -22.45 49.87 12.22 37.91 15.45 8.65 25.90 20.01 17.94 0.30 10.19 1.56 37 N C T 112.31 2.83 14.31 17.92 101.57 49.03 -89.64 24.01 60.10 8.03 31.88 19.68 10.74 30.75 13.52 17.48 0.17 6.35 1.30 38 I C C 59.91 13.97 7.24 20.62 112.57 123.87 -90.49 120.69 61.35 14.18 24.48 48.89 7.22 5.20 11.64 12.88 0.02 12.65 1.49 39 K C C 152.14 1.85 14.14 16.56 105.41 -172.21 -91.18 3.82 59.67 18.66 21.67 35.46 12.65 12.26 9.46 12.13 0.08 16.30 1.66 40 E C C 137.94 2.69 14.12 17.93 112.12 6.67 -105.86 98.17 52.29 26.28 21.43 30.27 10.79 13.45 7.25 13.24 0.14 23.20 1.65 41 I C C 71.38 13.03 9.30 22.40 117.39 -149.48 -102.13 129.58 68.34 24.54 7.13 58.35 6.88 2.36 4.12 2.95 0.02 23.66 1.66 42 K C C 142.74 2.49 15.94 19.51 117.92 -163.19 -108.91 130.97 66.94 29.74 3.32 60.71 3.40 1.71 2.24 1.23 0.01 27.02 3.69 43 C C C 54.17 13.13 7.96 20.77 117.93 -158.01 -99.99 132.67 78.25 19.46 2.29 70.32 4.77 2.36 1.21 1.01 0.00 17.95 2.37 44 N C C 127.29 1.39 14.24 15.55 102.76 -166.36 -95.24 13.07 89.69 7.77 2.53 58.41 22.05 9.66 1.16 1.29 0.00 5.79 1.63 45 G C S 46.02 5.23 11.07 17.76 115.41 69.41 -98.76 162.43 92.74 2.68 4.58 26.03 52.64 14.58 2.47 1.75 0.00 1.51 1.01 46 T C C 87.33 2.74 12.74 16.39 113.98 -68.09 -89.79 153.48 82.49 1.61 15.90 41.72 33.50 6.60 14.78 1.97 0.01 0.60 0.82 47 D H H 102.31 3.71 12.63 17.73 97.04 -110.60 -66.85 -31.44 27.72 0.46 71.82 13.30 7.69 7.65 68.67 2.29 0.01 0.21 0.18 48 A H H 63.49 3.02 14.48 18.20 94.05 60.94 -65.64 -37.96 13.68 0.31 86.01 6.97 2.23 5.12 83.30 2.09 0.01 0.17 0.11 49 K H H 86.72 7.58 15.08 23.79 93.32 52.43 -66.83 -39.61 5.28 0.18 94.53 3.13 0.76 1.85 92.54 1.54 0.01 0.12 0.04 50 V H H 43.80 9.65 14.24 25.42 92.59 52.08 -64.89 -41.62 1.76 0.06 98.18 0.93 0.23 0.67 97.52 0.60 0.00 0.04 0.01 51 K H H 112.73 2.64 19.66 21.89 92.16 51.41 -64.61 -41.05 1.22 0.05 98.74 0.56 0.13 0.52 98.41 0.35 0.00 0.03 0.01 52 L H H 70.59 5.14 18.44 24.37 92.06 50.59 -64.58 -42.16 1.14 0.06 98.80 0.45 0.11 0.54 98.57 0.27 0.00 0.04 0.01 53 I H H 44.60 12.12 16.29 29.24 92.30 49.82 -64.87 -41.99 0.74 0.02 99.23 0.28 0.07 0.34 99.16 0.14 0.00 0.01 0.00 54 K H H 101.66 6.26 19.04 25.95 91.83 51.07 -63.81 -41.28 0.63 0.01 99.36 0.20 0.05 0.32 99.32 0.10 0.00 0.00 0.00 55 Q H H 97.21 2.29 20.75 21.89 92.06 49.54 -64.96 -41.43 0.70 0.01 99.29 0.18 0.06 0.39 99.25 0.11 0.00 0.00 0.00 56 E H H 66.87 8.20 18.35 27.46 92.07 50.01 -64.87 -41.47 0.79 0.00 99.20 0.16 0.06 0.48 99.16 0.13 0.00 0.00 0.00 57 L H H 44.68 11.58 15.97 28.47 91.91 50.82 -64.12 -41.31 0.96 0.00 99.04 0.21 0.08 0.57 98.93 0.20 0.00 0.00 0.00 58 D H H 81.66 2.63 20.57 22.56 91.56 51.00 -64.05 -40.92 1.84 0.01 98.15 0.34 0.13 1.22 97.93 0.37 0.00 0.00 0.00 59 K H H 109.91 3.44 19.73 23.14 91.98 50.19 -64.90 -41.00 3.93 0.01 96.06 0.42 0.27 3.08 95.64 0.58 0.01 0.00 0.01 60 Y H H 65.68 12.18 16.14 28.87 92.19 49.35 -66.16 -40.42 4.37 0.02 95.61 1.10 0.51 2.60 95.18 0.59 0.00 0.01 0.01 61 K H H 105.32 5.96 18.87 25.53 91.87 52.75 -63.49 -41.40 1.74 0.01 98.25 0.58 0.17 0.83 98.22 0.20 0.00 0.00 0.00 62 N H H 90.53 1.96 21.06 21.52 91.99 49.65 -64.88 -40.62 1.18 0.00 98.82 0.29 0.10 0.64 98.78 0.18 0.00 0.00 0.00 63 A H H 34.25 7.94 17.92 27.15 91.83 51.07 -64.33 -41.89 0.51 0.00 99.49 0.11 0.04 0.28 99.45 0.12 0.00 0.00 0.00 64 V H H 45.04 10.03 16.94 28.00 91.83 49.90 -64.31 -42.19 0.25 0.00 99.75 0.05 0.02 0.13 99.76 0.05 0.00 0.00 0.00 65 T H H 72.25 2.73 20.22 22.31 91.57 49.99 -63.99 -41.86 0.22 0.00 99.78 0.03 0.01 0.12 99.79 0.04 0.00 0.00 0.00 66 E H H 98.24 3.32 19.40 22.62 91.91 49.90 -64.44 -41.27 0.31 0.00 99.68 0.03 0.02 0.20 99.69 0.06 0.00 0.00 0.00 67 L H H 54.57 9.60 15.86 26.45 92.08 50.17 -64.86 -41.33 0.48 0.00 99.52 0.05 0.02 0.32 99.49 0.12 0.00 0.00 0.00 68 Q H H 91.75 5.32 17.33 23.47 91.92 51.40 -63.97 -40.62 1.20 0.00 98.80 0.12 0.07 0.86 98.64 0.31 0.00 0.00 0.00 69 L H H 93.95 2.13 17.55 19.19 91.98 50.58 -65.35 -40.45 2.97 0.01 97.02 0.35 0.21 2.19 96.30 0.94 0.00 0.00 0.00 70 L H H 82.77 5.18 15.32 21.47 92.23 50.33 -66.67 -38.66 7.49 0.04 92.47 1.11 0.68 5.34 91.10 1.72 0.01 0.01 0.02 71 M H H 86.49 7.68 13.30 21.99 93.52 51.36 -69.77 -28.39 24.45 0.21 75.33 4.80 2.65 16.85 72.87 2.58 0.03 0.09 0.12 72 Q C H 121.22 2.62 14.59 17.93 94.64 60.02 -72.52 -22.38 51.21 0.74 48.05 13.71 8.62 29.12 45.00 2.82 0.04 0.29 0.40 73 S C C 68.99 3.91 12.90 18.05 102.88 59.86 -88.25 22.44 70.75 1.02 28.23 33.26 11.89 25.49 25.30 3.10 0.01 0.38 0.57 74 T C H 64.69 6.45 11.52 19.52 105.60 112.66 -75.99 -34.48 55.56 0.55 43.88 34.48 15.25 5.05 42.73 2.03 0.00 0.18 0.26 75 P H H 83.79 2.77 14.70 18.03 94.96 24.13 -63.20 -39.29 31.84 0.56 67.59 19.63 4.21 8.79 62.38 4.47 0.01 0.31 0.21 76 A H H 54.00 3.82 13.80 18.83 93.93 52.27 -66.20 -39.36 21.61 0.61 77.78 12.46 3.29 7.23 70.62 5.79 0.02 0.37 0.22 77 A H H 47.80 4.60 12.71 19.12 92.84 52.31 -64.98 -39.83 14.83 0.44 84.73 8.16 2.70 5.15 77.15 6.40 0.02 0.27 0.15 78 N H H 89.01 2.51 13.54 16.77 92.99 51.26 -66.79 -37.60 16.90 0.48 82.61 8.70 3.01 6.43 75.98 5.41 0.02 0.28 0.18 79 N H H 88.03 2.33 12.17 15.28 93.01 54.15 -66.91 -37.01 19.40 0.48 80.12 10.26 3.50 6.98 73.31 5.48 0.02 0.26 0.18 80 R H H 147.25 2.13 10.92 14.05 93.56 53.63 -67.99 -35.20 22.54 0.64 76.83 10.02 3.95 9.88 68.64 6.86 0.04 0.35 0.26 81 A H H 77.78 2.19 9.20 12.71 94.59 57.40 -70.45 -27.63 34.88 0.86 64.26 13.08 5.40 17.71 57.04 5.89 0.05 0.43 0.40 82 R C H 175.61 1.24 9.08 11.12 97.85 59.43 -79.54 -8.46 59.87 0.98 39.15 34.52 2.08 22.72 36.31 3.35 0.00 0.44 0.58 83 R C C 164.19 2.39 10.14 14.04 104.84 94.75 -81.08 87.11 99.91 0.03 0.06 99.73 0.09 0.12 0.04 0.00 0.00 0.01 0.01