# 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 56.09 10.08 12.90 23.69 115.80 -163.59 -90.51 137.85 99.85 0.12 0.02 99.82 0.06 0.04 0.01 0.00 0.00 0.06 0.01 1 Q C C 125.25 3.84 13.32 18.80 111.60 -150.07 -94.20 118.06 89.25 6.34 4.41 76.89 2.66 9.94 1.38 2.36 0.00 5.37 1.41 2 H C C 104.99 8.92 12.17 21.99 112.79 -163.98 -100.19 111.67 82.55 12.69 4.76 52.37 16.97 13.56 0.93 3.86 0.00 10.83 1.49 3 A C C 52.32 9.87 14.86 25.72 121.00 -168.03 -105.63 139.01 68.59 27.42 3.99 53.92 10.23 4.11 1.05 2.95 0.00 25.51 2.22 4 V C E 41.06 16.14 14.46 30.62 119.89 -153.01 -108.86 130.33 50.90 46.55 2.54 43.41 5.18 1.77 1.10 1.44 0.00 43.56 3.53 5 I C C 89.39 7.55 20.65 28.88 116.76 -157.28 -104.97 124.82 51.54 47.10 1.36 43.97 5.49 1.17 0.77 0.74 0.00 42.75 5.11 6 L C C 26.40 20.30 10.84 30.17 122.95 -162.14 -109.50 139.61 76.39 23.17 0.44 67.09 8.81 0.42 0.27 0.19 0.00 20.64 2.58 7 D C C 81.33 3.29 18.94 21.95 116.42 -114.26 -76.79 157.20 97.59 2.12 0.29 96.56 1.10 0.12 0.21 0.04 0.00 1.74 0.24 8 Q H H 120.43 4.84 13.01 19.70 92.39 -107.84 -58.57 -38.60 2.10 0.00 97.90 0.30 0.28 1.25 97.80 0.36 0.00 0.00 0.00 9 E H H 133.11 1.12 17.27 16.84 92.11 51.90 -65.08 -39.79 1.64 0.00 98.36 0.20 0.14 1.16 97.94 0.56 0.00 0.00 0.00 10 K H H 66.33 10.17 15.49 26.70 92.32 48.51 -66.84 -39.43 0.88 0.00 99.11 0.18 0.08 0.52 98.61 0.60 0.00 0.00 0.00 11 Y H H 30.05 18.85 13.30 31.99 91.51 52.30 -62.77 -42.45 0.41 0.00 99.58 0.09 0.03 0.20 99.52 0.15 0.00 0.00 0.00 12 D H H 77.04 3.43 20.72 24.09 91.41 50.94 -63.35 -40.82 0.63 0.00 99.37 0.10 0.03 0.38 99.41 0.08 0.00 0.00 0.00 13 R H H 114.55 3.49 21.33 24.47 91.58 50.41 -64.68 -41.20 0.51 0.00 99.49 0.04 0.02 0.37 99.48 0.09 0.00 0.00 0.00 14 I H H 8.46 21.48 15.48 37.28 91.95 49.65 -64.04 -42.95 0.27 0.00 99.73 0.02 0.01 0.18 99.63 0.15 0.00 0.00 0.00 15 L H H 49.35 15.68 17.15 32.48 91.62 52.23 -64.10 -37.80 0.83 0.00 99.17 0.05 0.03 0.69 98.53 0.70 0.00 0.00 0.00 16 K H H 145.03 1.42 21.51 21.39 92.48 51.11 -68.58 -35.24 7.00 0.00 93.00 0.11 0.17 7.04 91.73 0.94 0.00 0.00 0.00 17 E H H 86.32 8.03 18.45 27.00 94.87 46.04 -76.60 -31.72 15.06 0.02 84.92 0.29 0.97 13.94 84.05 0.71 0.02 0.00 0.01 18 V C C 10.66 21.73 11.12 32.36 104.21 44.60 -109.09 49.26 93.26 0.35 6.38 55.86 33.47 4.01 4.11 2.02 0.00 0.09 0.44 19 P C T 77.99 7.67 16.27 25.33 92.81 140.02 -65.44 -23.77 93.09 0.19 6.72 19.11 5.94 67.75 0.86 6.12 0.00 0.11 0.11 20 T C T 102.99 2.08 18.60 20.33 95.72 51.67 -91.26 -5.05 92.18 0.27 7.56 6.49 9.05 75.55 0.63 7.99 0.00 0.15 0.15 21 Y C C 58.54 17.23 10.42 27.06 116.87 98.10 -83.81 136.10 95.56 1.68 2.76 82.17 11.16 2.11 0.45 2.54 0.00 0.87 0.69 22 R C S 150.79 4.36 19.87 25.45 97.17 -162.65 -82.52 -27.22 96.56 2.44 0.99 17.67 73.44 5.65 0.09 0.93 0.00 1.80 0.41 23 Y E E 88.99 11.04 20.74 31.97 127.59 25.21 -133.43 137.86 32.24 66.27 1.50 13.02 16.66 5.26 0.32 1.10 0.03 60.92 2.70 24 V E E 11.26 22.98 17.36 40.17 123.22 -171.86 -124.67 130.02 15.60 84.16 0.24 13.11 2.30 0.13 0.21 0.11 0.00 71.34 12.80 25 S C C 25.95 10.15 26.11 37.03 126.85 -130.17 -102.31 162.21 61.73 38.15 0.12 62.20 1.00 0.06 0.10 0.03 0.00 35.03 1.58 26 V H H 22.72 21.78 17.46 38.94 91.67 -110.25 -59.71 -37.31 1.85 0.01 98.14 0.10 0.16 1.54 97.77 0.43 0.00 0.00 0.00 27 S H H 53.87 6.41 23.35 30.21 91.65 56.03 -63.32 -41.02 0.97 0.00 99.03 0.06 0.06 0.79 98.67 0.41 0.00 0.00 0.00 28 V H H 39.07 8.79 22.09 31.98 92.05 48.90 -65.19 -42.14 0.52 0.01 99.47 0.06 0.05 0.37 98.96 0.55 0.00 0.01 0.00 29 L H H 3.60 24.14 16.09 40.62 91.75 49.55 -64.20 -43.30 0.64 0.03 99.33 0.09 0.09 0.42 99.09 0.29 0.01 0.01 0.00 30 V H H 23.77 14.70 16.10 31.64 91.87 49.87 -63.68 -42.86 1.57 0.07 98.35 0.20 0.24 1.07 98.12 0.30 0.02 0.03 0.02 31 D H H 105.88 1.57 20.08 20.58 92.19 47.82 -65.09 -40.84 2.64 0.03 97.34 0.22 0.20 2.07 96.88 0.58 0.02 0.01 0.01 32 R H H 123.12 6.57 17.18 24.68 92.67 45.78 -69.29 -36.64 5.52 0.02 94.46 0.18 0.40 4.86 93.98 0.54 0.02 0.01 0.01 33 L H H 38.57 15.45 12.98 28.69 96.32 36.42 -95.87 -3.25 19.65 0.09 80.25 1.35 3.17 14.82 79.87 0.68 0.03 0.02 0.07 34 K C T 168.97 1.12 19.54 19.60 93.45 -126.08 57.15 39.97 99.58 0.07 0.35 23.38 10.27 66.01 0.16 0.10 0.00 0.04 0.03 35 I C C 37.50 16.46 10.88 27.21 128.29 131.94 -121.14 151.55 98.72 1.06 0.22 76.46 21.51 0.65 0.13 0.07 0.00 0.34 0.83 36 G C C 42.02 3.05 21.77 23.91 119.13 -104.62 -76.94 160.76 99.42 0.26 0.32 98.47 0.87 0.20 0.20 0.04 0.00 0.07 0.15 37 G H H 31.71 14.11 14.65 28.10 94.80 -106.07 -56.66 -42.45 12.60 0.04 87.36 1.53 2.37 8.45 84.74 2.85 0.02 0.01 0.03 38 S H H 70.99 2.89 23.21 25.24 92.67 53.06 -65.40 -40.13 7.06 0.02 92.91 0.67 0.71 5.33 89.99 3.26 0.02 0.01 0.01 39 L H H 46.62 11.75 21.04 33.14 92.38 49.89 -65.92 -40.95 2.29 0.01 97.70 0.47 0.24 1.38 95.25 2.65 0.01 0.00 0.01 40 A H H 2.15 25.70 15.45 41.67 91.17 51.90 -63.77 -42.91 0.37 0.00 99.63 0.09 0.02 0.17 99.46 0.26 0.00 0.00 0.00 41 R H H 105.37 10.16 24.39 34.42 91.44 51.54 -62.80 -41.57 0.18 0.00 99.82 0.02 0.01 0.10 99.77 0.09 0.00 0.00 0.00 42 I H H 72.93 4.22 26.83 31.17 91.25 50.10 -63.51 -42.72 0.07 0.00 99.93 0.00 0.00 0.04 99.92 0.03 0.00 0.00 0.00 43 A H H 4.23 20.97 21.27 42.48 91.46 49.86 -63.72 -43.68 0.08 0.00 99.92 0.00 0.00 0.05 99.91 0.03 0.00 0.00 0.00 44 L H H 5.02 25.06 19.92 44.78 91.45 49.74 -64.06 -41.94 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 45 R H H 121.41 4.46 25.27 29.84 91.42 51.53 -63.37 -42.18 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 46 H H H 72.34 6.33 22.94 29.82 91.75 49.32 -64.37 -41.82 0.20 0.00 99.80 0.02 0.01 0.12 99.83 0.03 0.00 0.00 0.00 47 L H H 5.97 22.02 14.88 37.39 91.71 49.84 -64.16 -42.24 0.29 0.00 99.71 0.04 0.02 0.16 99.68 0.10 0.00 0.00 0.00 48 E H H 72.52 12.88 16.08 29.00 91.86 50.59 -63.40 -41.17 0.40 0.00 99.60 0.04 0.02 0.27 99.40 0.27 0.00 0.00 0.00 49 K H H 161.45 0.90 18.79 18.05 90.98 51.46 -64.79 -31.59 2.91 0.00 97.08 0.06 0.07 2.89 96.60 0.37 0.00 0.00 0.00 50 E C T 105.19 5.44 15.06 21.86 92.35 51.57 -84.68 -5.46 80.94 0.01 19.05 0.09 0.46 80.68 18.45 0.32 0.00 0.00 0.01 51 G C T 45.53 4.33 18.25 23.66 94.43 -113.51 79.29 13.49 99.91 0.00 0.08 0.12 0.68 99.16 0.03 0.01 0.00 0.00 0.00 52 I C S 31.02 15.60 16.28 32.78 95.25 121.18 -80.86 -25.52 99.76 0.23 0.01 6.74 92.50 0.60 0.00 0.00 0.00 0.14 0.02 53 I E E 4.46 25.24 12.78 38.75 132.28 30.10 -133.92 147.45 23.62 76.37 0.01 10.72 14.74 0.21 0.00 0.01 0.00 73.19 1.13 54 K E E 106.47 4.62 25.36 30.42 123.71 -158.87 -121.37 135.25 4.68 95.32 0.00 4.33 0.15 0.00 0.00 0.00 0.00 95.45 0.06 55 P E E 60.27 15.62 15.04 30.24 111.17 -112.18 -67.71 131.14 2.08 97.91 0.00 2.10 0.02 0.00 0.00 0.00 0.00 97.84 0.04 56 I E E 71.31 9.21 16.50 27.07 101.25 177.44 -96.28 -31.95 5.47 94.52 0.01 3.77 1.16 0.05 0.00 0.01 0.00 94.98 0.03 57 S E E 47.94 5.61 18.38 25.28 138.36 -3.95 -153.51 155.28 2.06 97.92 0.01 1.50 0.28 0.04 0.00 0.01 0.00 98.15 0.02 58 K E E 123.09 8.62 11.42 22.00 123.52 -159.61 -129.79 133.07 5.88 94.08 0.04 4.87 0.58 0.10 0.00 0.02 0.00 94.29 0.13 59 H E E 103.05 4.54 11.94 18.24 124.78 174.77 -126.04 138.81 44.34 55.55 0.11 39.46 2.97 0.34 0.02 0.09 0.00 56.63 0.49 60 S C T 99.17 0.84 13.09 13.33 99.81 -61.14 -1.41 -80.04 98.24 0.80 0.96 3.70 39.23 55.21 0.03 1.09 0.00 0.62 0.11 61 K C T 160.29 2.38 12.88 15.79 98.20 -7.24 -96.88 1.80 98.60 0.45 0.94 3.21 38.19 57.03 0.02 1.13 0.00 0.34 0.07 62 Q E E 66.77 10.38 13.16 24.81 126.18 78.22 -121.26 142.91 32.66 66.96 0.37 22.04 8.39 2.60 0.03 0.35 0.00 66.16 0.42 63 A E E 23.45 13.66 17.23 32.19 120.69 -146.06 -106.19 135.24 4.07 95.92 0.00 3.87 0.10 0.01 0.00 0.00 0.00 95.96 0.05 64 I E E 20.79 15.09 21.37 37.65 120.07 -158.34 -113.35 130.71 0.49 99.51 0.00 0.41 0.02 0.00 0.00 0.00 0.00 99.57 0.01 65 Y E E 16.69 20.79 19.55 40.39 126.46 -168.53 -116.71 143.26 0.25 99.75 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 66 T E E 28.99 12.88 22.58 36.00 133.61 -175.21 -131.66 152.85 0.97 99.03 0.00 0.91 0.02 0.00 0.00 0.00 0.00 99.03 0.03 67 R E E 93.16 12.81 17.81 30.56 115.10 -107.07 -75.35 140.38 13.30 86.68 0.02 12.50 0.62 0.05 0.00 0.01 0.00 86.28 0.53 68 A C C 42.04 13.18 12.54 26.02 112.88 -114.69 -73.80 144.35 91.77 8.15 0.08 90.72 0.84 0.22 0.02 0.05 0.00 7.91 0.25 69 T C C 100.97 3.22 16.70 20.75 105.40 -146.24 -89.67 52.73 99.91 0.08 0.01 99.81 0.11 0.03 0.00 0.00 0.00 0.04 0.01