# 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 C C C 27.27 17.12 18.27 35.18 124.03 -165.40 -117.79 140.52 98.92 1.08 0.00 98.96 0.10 0.02 0.00 0.00 0.00 0.89 0.02 1 V E E 51.30 11.90 20.39 32.71 119.30 -155.16 -108.88 127.80 35.53 64.03 0.43 34.04 0.81 0.36 0.16 0.18 0.00 63.40 1.05 2 V E E 26.91 18.11 16.34 34.70 120.45 -164.21 -112.39 130.12 17.25 82.19 0.56 15.09 1.44 0.41 0.24 0.26 0.00 81.97 0.58 3 R E E 98.24 10.00 21.86 32.21 119.08 -160.90 -110.77 128.16 11.52 87.96 0.52 9.94 1.00 0.32 0.23 0.23 0.00 87.95 0.33 4 F E E 32.81 19.78 16.70 36.31 122.73 -167.13 -116.34 132.66 11.17 88.13 0.71 9.95 0.81 0.28 0.38 0.28 0.00 87.83 0.47 5 V E E 53.02 9.91 22.48 33.17 118.38 -161.97 -112.39 126.07 16.97 82.00 1.03 14.58 1.56 0.57 0.52 0.43 0.00 81.70 0.63 6 F E E 40.59 18.70 14.03 32.46 121.11 -166.34 -111.85 133.71 32.63 66.09 1.29 27.65 3.47 0.99 0.65 0.56 0.00 65.49 1.17 7 R C C 139.61 5.22 18.34 24.56 114.78 -156.54 -104.86 127.60 61.64 33.40 4.96 38.92 16.63 6.84 2.63 2.04 0.04 31.30 1.61 8 G C S 38.88 5.05 17.78 23.42 124.15 21.70 110.91 -169.32 73.10 8.52 18.38 17.37 34.95 21.41 12.58 5.14 0.20 6.49 1.86 9 D C C 89.56 5.78 18.72 24.99 105.18 -38.08 -80.39 58.65 67.00 4.37 28.63 37.99 15.36 13.30 24.87 4.51 0.05 2.73 1.20 10 L H H 44.83 16.28 16.75 32.61 95.59 118.50 -68.26 -33.51 17.66 0.79 81.55 12.73 2.78 3.40 78.62 1.80 0.01 0.47 0.18 11 A H H 19.66 18.18 17.26 34.91 92.56 57.30 -63.78 -41.47 2.36 0.07 97.57 1.03 0.32 1.04 96.65 0.89 0.01 0.05 0.01 12 E H H 100.15 5.15 23.18 28.39 92.31 50.48 -65.34 -40.38 0.89 0.03 99.07 0.34 0.10 0.44 98.47 0.62 0.00 0.03 0.00 13 L H H 49.17 9.71 21.78 32.14 92.24 50.26 -65.29 -42.06 0.42 0.01 99.56 0.13 0.04 0.22 99.27 0.33 0.00 0.01 0.00 14 M H H 17.81 21.51 19.67 40.70 92.19 50.58 -64.33 -42.78 0.39 0.01 99.61 0.09 0.03 0.21 99.53 0.13 0.00 0.00 0.00 15 L H H 39.18 15.55 21.62 36.69 91.95 50.62 -63.44 -42.18 0.35 0.00 99.65 0.06 0.02 0.21 99.64 0.07 0.00 0.00 0.00 16 R H H 126.13 3.11 25.70 28.22 91.66 49.89 -64.42 -41.48 0.35 0.00 99.65 0.06 0.02 0.21 99.64 0.06 0.00 0.00 0.00 17 A H H 17.64 12.94 21.21 35.06 91.70 49.91 -64.47 -42.29 0.52 0.00 99.47 0.08 0.04 0.33 99.47 0.08 0.00 0.00 0.00 18 V H H 7.72 23.09 18.21 41.27 91.92 49.19 -64.40 -43.19 0.68 0.01 99.31 0.11 0.05 0.43 99.29 0.10 0.00 0.00 0.00 19 K H H 91.38 9.16 21.70 31.03 91.56 50.89 -62.93 -41.81 0.85 0.01 99.14 0.13 0.07 0.54 99.11 0.15 0.00 0.00 0.00 20 D H H 75.69 2.82 23.07 24.83 92.05 49.28 -65.05 -40.92 2.05 0.01 97.94 0.29 0.16 1.42 97.74 0.37 0.00 0.01 0.00 21 H H H 36.62 12.92 17.29 31.19 92.61 48.77 -66.11 -40.98 3.60 0.03 96.37 0.51 0.33 2.61 95.77 0.74 0.01 0.01 0.01 22 L H H 28.09 17.98 13.07 30.78 92.48 51.12 -66.11 -38.06 6.08 0.09 93.84 1.32 0.77 3.99 92.41 1.41 0.02 0.04 0.03 23 K H H 144.14 2.31 16.91 19.84 92.29 52.68 -67.16 -34.34 13.94 0.13 85.92 1.98 1.39 10.52 83.50 2.44 0.05 0.07 0.06 24 K H H 144.98 1.69 16.45 17.83 96.61 45.61 -76.73 -32.12 24.89 0.23 74.87 2.78 3.03 19.17 72.41 2.31 0.08 0.10 0.12 25 E H H 102.31 6.90 14.68 22.47 102.05 26.75 -99.28 -7.83 35.40 0.67 63.92 7.48 9.29 20.61 60.00 1.82 0.14 0.23 0.42 26 G C C 26.93 7.52 17.03 25.84 126.16 -116.48 99.91 172.11 97.63 1.66 0.71 57.68 34.00 6.16 0.20 0.50 0.00 1.09 0.37 27 P C C 54.76 12.91 15.55 28.52 110.62 -56.45 -70.83 146.43 94.92 4.12 0.96 49.42 35.20 10.33 0.11 0.99 0.00 3.52 0.43 28 H E E 91.44 9.11 20.12 29.49 118.74 -160.94 -112.46 128.63 41.48 56.98 1.54 29.91 8.59 4.22 0.28 1.27 0.00 54.59 1.14 29 W E E 49.72 20.19 14.43 33.71 127.50 -169.19 -125.09 142.15 19.98 79.66 0.36 16.74 2.58 0.48 0.13 0.21 0.00 79.29 0.56 30 N E E 74.85 7.53 23.69 31.64 121.22 -162.07 -116.93 131.34 6.13 93.72 0.16 5.04 0.74 0.17 0.05 0.07 0.00 93.75 0.17 31 I E E 28.38 21.25 14.84 35.53 121.29 -163.07 -114.00 130.15 3.96 95.88 0.16 3.43 0.35 0.11 0.07 0.06 0.00 95.77 0.19 32 T E E 56.70 7.03 21.61 29.26 126.55 -172.62 -121.50 145.97 8.28 91.36 0.36 7.14 0.86 0.28 0.19 0.17 0.00 90.75 0.62 33 S E E 33.87 14.11 12.44 27.02 117.43 -142.22 -98.67 136.42 32.58 66.84 0.58 28.19 3.27 0.80 0.22 0.35 0.00 65.85 1.32 34 T C T 79.28 5.55 14.05 20.88 102.53 -158.90 -82.82 -17.10 79.30 14.73 5.96 17.56 23.52 38.99 0.70 4.91 0.02 12.95 1.33 35 N C T 116.92 2.66 12.56 16.04 99.81 36.50 -80.45 -16.43 87.16 5.91 6.93 8.21 22.81 56.50 0.68 6.12 0.01 4.48 1.19 36 N C T 108.47 3.23 12.77 16.97 100.06 16.43 -88.95 10.92 92.88 1.68 5.44 7.89 19.95 64.58 0.43 5.50 0.00 1.16 0.50 37 G C T 45.17 5.08 13.52 20.02 98.98 -99.57 81.96 4.04 93.61 4.54 1.85 22.51 33.37 37.86 0.16 1.86 0.00 3.66 0.58 38 K C C 88.42 8.66 14.61 24.54 117.67 131.86 -91.40 142.07 62.29 37.19 0.52 45.84 12.77 2.80 0.09 0.50 0.00 36.93 1.07 39 E E E 77.42 11.19 18.64 30.20 119.37 -136.91 -101.02 135.91 13.26 86.61 0.12 11.49 1.42 0.24 0.03 0.08 0.00 86.10 0.64 40 L E E 17.10 20.22 17.15 37.40 121.49 -156.57 -110.91 134.71 3.34 96.62 0.04 2.88 0.27 0.05 0.01 0.02 0.00 96.66 0.11 41 V E E 39.02 11.90 23.85 36.46 118.82 -156.32 -111.24 128.04 1.39 98.59 0.03 1.21 0.08 0.02 0.01 0.01 0.00 98.60 0.07 42 V E E 13.08 22.30 17.19 39.54 118.82 -161.88 -107.67 127.51 4.43 95.49 0.08 4.08 0.21 0.05 0.03 0.03 0.00 95.37 0.22 43 R E E 103.83 9.18 22.56 31.98 124.45 -171.56 -118.59 141.35 21.25 78.34 0.40 13.36 5.93 2.30 0.08 0.29 0.00 77.66 0.39 44 G E E 32.34 8.40 22.49 31.29 107.37 15.12 83.51 31.71 49.77 49.83 0.40 20.64 25.34 4.47 0.06 0.34 0.00 48.45 0.70 45 I C C 19.38 22.55 11.95 33.71 119.05 136.74 -96.26 137.01 54.47 45.10 0.42 47.58 5.63 0.49 0.20 0.27 0.00 41.63 4.19 46 H C C 92.26 4.76 21.38 26.01 119.94 -124.48 -80.84 156.68 80.73 18.96 0.31 79.88 1.53 0.16 0.19 0.09 0.00 16.33 1.82 47 E H H 115.56 7.84 14.59 23.80 91.92 -109.39 -57.62 -38.57 5.73 0.03 94.23 0.76 0.70 4.15 87.90 6.43 0.01 0.02 0.01 48 S H H 74.09 1.57 20.31 20.26 92.29 53.43 -64.85 -38.44 4.41 0.02 95.58 0.36 0.33 3.56 88.65 7.08 0.00 0.01 0.01 49 D H H 34.74 12.71 17.15 30.58 92.50 48.88 -68.28 -37.50 2.40 0.01 97.59 0.39 0.23 1.60 90.53 7.24 0.00 0.01 0.00 50 A H H 8.41 21.59 14.10 35.60 91.52 54.70 -62.31 -42.36 0.40 0.00 99.60 0.09 0.04 0.20 99.34 0.33 0.00 0.00 0.00 51 K H H 116.54 3.78 22.94 26.86 91.44 51.35 -64.03 -40.70 0.23 0.00 99.77 0.03 0.01 0.14 99.71 0.11 0.00 0.00 0.00 52 R H H 113.60 4.04 23.65 27.37 91.75 49.84 -64.85 -41.85 0.21 0.00 99.79 0.02 0.01 0.14 99.74 0.08 0.00 0.00 0.00 53 I H H 9.07 21.71 18.29 39.97 92.16 48.76 -64.84 -42.76 0.17 0.00 99.83 0.02 0.01 0.10 99.83 0.04 0.00 0.00 0.00 54 A H H 19.20 16.52 19.12 35.60 91.71 51.68 -62.87 -41.77 0.17 0.00 99.83 0.02 0.01 0.11 99.84 0.03 0.00 0.00 0.00 55 K H H 118.72 1.93 24.20 24.32 91.80 50.47 -64.51 -41.42 0.27 0.00 99.73 0.02 0.01 0.20 99.72 0.05 0.00 0.00 0.00 56 W H H 65.34 8.93 19.69 29.99 92.02 49.00 -65.09 -42.12 0.34 0.00 99.66 0.03 0.02 0.24 99.62 0.09 0.00 0.00 0.00 57 V H H 8.12 21.88 13.65 35.56 91.76 49.06 -65.22 -41.74 0.56 0.00 99.44 0.05 0.04 0.41 99.34 0.16 0.00 0.00 0.00 58 E H H 92.23 8.79 16.50 26.06 91.79 52.29 -65.07 -36.20 2.17 0.00 97.83 0.12 0.09 1.88 97.42 0.48 0.00 0.00 0.00 59 K H H 150.75 1.09 18.79 18.16 93.61 48.73 -70.98 -35.07 9.73 0.00 90.27 0.19 0.30 9.41 89.48 0.61 0.00 0.00 0.00 60 R H H 108.14 8.02 15.83 24.69 100.15 35.59 -92.66 -28.04 17.03 0.03 82.93 0.61 1.40 14.85 82.52 0.56 0.03 0.01 0.02 61 F C S 41.89 15.99 10.45 26.38 111.62 31.30 -127.51 82.70 97.27 0.60 2.12 46.84 48.74 1.62 1.87 0.33 0.00 0.17 0.44 62 P C C 83.52 5.23 15.21 22.14 98.78 172.97 -67.40 -21.01 86.49 1.04 12.47 50.63 10.13 25.91 5.45 6.82 0.00 0.61 0.45 63 R C C 151.45 3.92 17.00 21.88 105.66 59.99 -89.12 63.58 73.44 7.96 18.60 38.01 12.25 23.87 9.26 8.99 0.03 5.46 2.13 64 V C C 44.16 16.72 11.50 27.61 115.40 143.79 -93.36 129.78 67.72 13.46 18.82 51.14 9.93 6.21 12.64 6.70 0.02 10.34 3.03 65 H C C 100.54 7.80 16.81 25.47 116.26 -161.63 -101.17 131.19 67.71 16.20 16.08 53.39 8.05 5.40 12.36 4.47 0.01 13.55 2.76 66 T C C 59.23 10.61 13.90 25.27 119.65 -160.06 -108.68 144.69 65.21 13.19 21.59 48.74 9.77 6.34 16.50 5.63 0.02 10.42 2.59 67 E C C 109.82 6.95 13.47 21.63 108.19 -134.44 -86.41 96.95 55.81 6.68 37.51 29.42 13.46 14.28 23.11 13.40 0.09 4.67 1.57 68 T C C 82.91 5.59 11.95 19.05 109.75 93.09 -88.40 113.21 56.83 5.22 37.95 25.39 14.06 19.00 20.91 15.60 0.13 3.47 1.44 69 Q C C 114.38 4.97 11.66 18.19 105.74 -142.50 -87.11 59.91 59.36 7.72 32.91 33.00 11.38 16.34 17.10 14.78 0.08 5.17 2.15 70 C C C 67.76 8.70 8.64 18.30 107.80 104.13 -90.93 81.05 76.97 5.27 17.75 62.90 3.01 11.42 10.48 6.65 0.00 3.50 2.04 71 D C C 105.83 3.27 13.40 18.11 106.79 -149.12 -87.33 80.06 99.90 0.08 0.02 99.79 0.08 0.07 0.01 0.00 0.00 0.04 0.01