# 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 M C C 101.17 5.07 12.11 18.54 109.26 -155.61 -86.22 114.60 99.41 0.23 0.36 99.33 0.12 0.17 0.20 0.03 0.00 0.11 0.05 1 L C C 103.22 4.11 9.60 15.28 96.57 153.91 -70.16 -26.46 59.32 2.40 38.28 49.66 2.11 8.55 28.93 8.28 0.00 1.26 1.22 2 T H H 92.38 2.84 9.12 13.54 95.23 65.37 -71.20 -26.86 45.64 1.76 52.60 25.67 7.20 12.98 35.31 17.11 0.03 0.94 0.77 3 R H H 171.20 1.38 10.25 12.29 95.11 58.24 -72.66 -28.86 40.56 1.09 58.36 13.36 7.77 18.67 38.56 20.33 0.17 0.56 0.56 4 F H H 147.03 1.86 10.41 13.12 98.65 47.88 -80.61 -28.86 42.46 1.11 56.43 10.82 9.18 22.31 40.46 15.77 0.31 0.54 0.62 5 L C H 92.35 4.63 8.92 15.19 102.24 44.40 -93.85 -4.46 55.05 2.61 42.34 17.43 25.06 15.36 33.80 5.33 0.28 0.77 1.98 6 G C C 30.08 3.51 12.53 17.51 124.61 -123.60 94.65 176.10 95.40 0.26 4.35 86.90 6.93 1.03 4.58 0.32 0.00 0.07 0.17 7 P H H 103.89 1.69 11.91 14.04 93.44 -77.25 -61.96 -36.57 7.10 0.03 92.87 1.28 1.00 4.66 90.01 3.02 0.01 0.01 0.01 8 R H H 158.21 1.28 12.27 13.57 92.46 52.71 -65.62 -38.56 4.68 0.02 95.30 0.63 0.44 3.41 92.07 3.42 0.01 0.01 0.01 9 Y H H 114.79 3.71 11.69 16.96 92.79 49.79 -67.48 -39.44 2.20 0.02 97.78 0.53 0.24 1.30 94.82 3.09 0.00 0.01 0.00 10 R H H 120.92 3.04 13.00 17.19 92.14 51.55 -64.61 -40.91 1.10 0.01 98.89 0.28 0.11 0.59 98.16 0.86 0.00 0.00 0.00 11 Q H H 100.60 1.72 14.56 15.98 92.10 50.49 -64.73 -40.81 1.46 0.01 98.54 0.21 0.11 0.98 97.94 0.75 0.00 0.00 0.00 12 L H H 88.22 2.36 13.92 16.81 92.18 50.26 -64.74 -41.04 1.49 0.00 98.51 0.16 0.09 1.08 97.85 0.81 0.00 0.00 0.00 13 A H H 53.19 3.71 12.32 17.67 91.98 50.99 -64.98 -39.27 1.38 0.00 98.62 0.15 0.07 0.96 96.55 2.27 0.00 0.00 0.00 14 R H H 151.71 1.80 14.43 16.39 92.24 51.54 -66.22 -36.80 3.86 0.00 96.13 0.12 0.11 3.59 89.51 6.66 0.00 0.00 0.00 15 N H H 107.70 1.73 13.74 15.49 93.14 50.47 -72.65 -28.13 17.67 0.01 82.32 0.21 0.37 18.24 74.81 6.34 0.01 0.00 0.00 16 W H H 141.74 4.01 12.08 17.43 97.04 50.72 -86.95 -14.16 31.73 0.04 68.23 1.77 1.68 28.23 62.23 6.01 0.02 0.01 0.04 17 V H H 82.35 3.38 13.28 17.97 93.19 77.83 -62.45 -43.06 2.79 0.00 97.21 0.63 0.34 1.52 95.70 1.81 0.00 0.00 0.00 18 P H H 81.43 2.05 15.19 17.17 92.16 49.64 -64.56 -39.71 1.90 0.00 98.10 0.28 0.12 1.30 95.74 2.56 0.00 0.00 0.00 19 T H H 71.44 3.10 14.38 18.34 92.49 50.01 -66.01 -39.72 0.95 0.00 99.04 0.15 0.07 0.60 96.80 2.38 0.00 0.00 0.00 20 A H H 59.02 2.92 14.80 18.44 92.13 51.41 -64.30 -40.53 0.58 0.00 99.42 0.09 0.04 0.34 98.85 0.68 0.00 0.00 0.00 21 S H H 64.22 1.97 15.70 17.41 91.99 50.75 -64.90 -40.70 1.30 0.00 98.70 0.11 0.06 1.00 98.32 0.51 0.00 0.00 0.00 22 L H H 93.37 2.44 15.44 18.14 92.15 50.02 -65.22 -41.25 1.23 0.00 98.76 0.11 0.07 0.91 98.63 0.28 0.00 0.00 0.00 23 W H H 148.41 2.43 15.58 18.33 91.94 49.90 -64.44 -41.13 0.54 0.00 99.46 0.07 0.03 0.33 99.43 0.13 0.00 0.00 0.00 24 G H H 38.30 2.39 15.87 18.40 91.86 50.30 -64.03 -41.67 0.57 0.00 99.43 0.08 0.03 0.35 99.43 0.11 0.00 0.00 0.00 25 A H H 60.59 2.39 16.45 18.71 92.28 49.41 -64.99 -40.93 0.60 0.00 99.40 0.07 0.03 0.40 99.41 0.10 0.00 0.00 0.00 26 V H H 81.18 2.67 16.34 19.22 92.23 49.47 -65.00 -41.52 0.44 0.00 99.55 0.06 0.03 0.27 99.59 0.06 0.00 0.00 0.00 27 G H H 35.22 2.97 15.84 19.41 91.68 50.90 -63.60 -41.80 0.24 0.00 99.76 0.04 0.01 0.13 99.79 0.03 0.00 0.00 0.00 28 A H H 60.40 2.28 16.61 18.73 91.88 50.15 -64.43 -41.56 0.15 0.00 99.85 0.02 0.01 0.09 99.86 0.03 0.00 0.00 0.00 29 V H H 83.40 2.45 16.28 18.78 92.09 49.69 -64.57 -41.49 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 30 G H H 35.75 2.95 15.12 18.87 91.73 50.87 -63.49 -41.78 0.16 0.00 99.84 0.01 0.01 0.10 99.85 0.03 0.00 0.00 0.00 31 L H H 97.61 1.90 15.96 17.56 91.87 49.60 -64.43 -41.20 0.17 0.00 99.83 0.01 0.01 0.12 99.79 0.07 0.00 0.00 0.00 32 V H H 81.56 2.52 14.60 17.64 92.09 49.63 -64.74 -41.36 0.28 0.00 99.72 0.02 0.01 0.21 99.56 0.19 0.00 0.00 0.00 33 W H H 153.12 2.43 14.04 17.08 92.62 49.57 -66.04 -39.43 1.02 0.00 98.98 0.05 0.04 0.84 98.55 0.52 0.00 0.00 0.00 34 A H H 72.51 1.72 14.08 15.71 92.78 49.97 -68.89 -33.48 7.04 0.01 92.95 0.22 0.25 6.65 92.11 0.75 0.01 0.00 0.00 35 T H H 75.87 2.76 12.79 16.34 98.55 47.70 -83.58 -22.66 31.35 0.16 68.49 1.80 2.87 26.02 67.79 1.27 0.07 0.05 0.11 36 D H H 85.14 3.43 12.71 17.26 97.60 -120.65 -66.29 4.42 43.97 0.48 55.56 20.04 6.25 16.86 54.73 1.67 0.02 0.16 0.28 37 W H H 144.71 3.22 12.22 16.81 93.73 86.23 -64.56 -35.13 10.81 0.08 89.11 4.29 1.46 5.33 86.25 2.59 0.01 0.03 0.04 38 R H H 138.97 2.34 13.47 16.51 92.84 55.47 -65.41 -38.71 2.61 0.03 97.36 0.63 0.30 1.61 94.47 2.95 0.00 0.02 0.01 39 L H H 89.72 2.23 13.41 16.16 92.28 50.82 -65.06 -40.79 1.41 0.02 98.57 0.28 0.15 0.93 95.02 3.59 0.00 0.01 0.00 40 I H H 93.01 2.77 12.96 16.69 92.54 49.19 -65.76 -40.80 1.43 0.02 98.56 0.19 0.12 1.04 94.92 3.72 0.00 0.01 0.00 41 L H H 85.36 4.18 11.42 17.28 92.62 51.24 -67.32 -33.28 3.81 0.02 96.17 0.26 0.20 3.15 86.71 9.66 0.01 0.01 0.00 42 D H H 102.99 2.06 12.85 15.71 92.55 58.97 -68.95 -23.69 35.76 0.03 64.20 0.62 0.81 35.50 55.07 7.94 0.01 0.01 0.03 43 W C T 179.02 1.81 12.42 14.61 97.86 44.77 -97.17 -3.17 58.90 0.09 41.01 1.98 2.39 54.60 33.87 7.02 0.01 0.04 0.08 44 V C S 63.13 6.98 7.26 16.26 112.38 103.24 -84.87 122.70 92.95 1.75 5.29 42.85 47.78 2.18 4.33 0.86 0.00 0.40 1.58 45 P C C 101.40 2.06 11.25 14.39 97.11 -146.55 -65.52 -25.47 76.65 1.55 21.80 32.10 14.04 31.37 10.21 10.63 0.01 0.75 0.89 46 Y C T 161.11 2.26 10.61 13.90 102.09 56.95 -86.76 7.04 64.92 9.46 25.63 21.61 13.34 30.77 12.44 12.01 0.42 4.94 4.47 47 I C T 99.21 4.71 8.77 15.19 106.06 86.24 -86.64 85.49 58.72 13.34 27.93 20.20 15.10 24.40 12.76 13.02 1.06 7.02 6.44 48 N C T 111.25 3.02 10.89 15.08 100.81 34.53 -67.74 16.68 70.40 4.03 25.57 20.05 16.50 34.62 10.24 14.20 0.16 1.98 2.25 49 G C T 44.66 3.52 10.78 15.76 102.14 53.45 -55.54 -28.61 69.42 1.76 28.82 19.80 19.36 31.17 8.15 19.48 0.04 0.78 1.21 50 K C T 142.49 2.08 10.75 13.81 96.49 59.32 -76.01 -21.52 68.13 2.19 29.68 16.71 18.36 33.60 8.40 20.42 0.05 1.14 1.30 51 F C C 130.53 4.05 8.78 14.51 102.61 53.23 -93.84 11.22 67.82 5.20 26.98 27.91 17.79 23.74 8.10 17.11 0.09 2.45 2.81 52 K C C 132.04 3.25 8.86 14.09 112.63 120.47 -87.85 128.71 82.02 4.21 13.77 63.57 11.21 6.99 7.44 6.21 0.00 2.20 2.38 53 K C C 151.32 2.25 8.13 12.21 109.86 -135.99 -89.02 119.13 87.32 2.34 10.34 63.42 13.96 9.87 5.73 4.39 0.00 1.14 1.49 54 D C C 114.91 1.95 7.96 11.56 110.35 -148.39 -89.03 122.49 94.68 0.60 4.72 83.18 2.38 9.83 2.31 1.66 0.00 0.30 0.34 55 D C C 118.87 1.85 10.00 13.21 104.50 -144.45 -86.85 54.77 99.95 0.02 0.02 99.75 0.13 0.09 0.01 0.00 0.00 0.01 0.01