# 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 K C C 145.53 2.94 12.13 16.65 119.57 -161.37 -107.84 135.51 99.88 0.12 0.00 99.88 0.04 0.01 0.00 0.00 0.00 0.06 0.01 1 F C C 133.00 5.22 8.22 15.31 120.82 -161.85 -111.65 135.55 82.34 15.96 1.70 81.34 0.66 1.28 0.54 0.93 0.00 12.76 2.50 2 Y C C 167.16 2.05 10.03 13.75 120.58 -165.73 -115.24 135.14 66.32 31.35 2.33 57.26 5.09 2.39 0.81 1.61 0.00 27.59 5.25 3 I C C 115.34 4.84 7.18 13.88 117.57 -156.22 -103.46 130.71 73.09 24.18 2.73 59.01 9.39 3.74 0.66 2.12 0.00 22.71 2.37 4 Q C C 130.08 2.09 9.80 13.48 120.29 -165.01 -108.13 142.86 85.02 13.15 1.82 64.57 16.54 3.72 0.53 1.34 0.00 11.37 1.93 5 E C C 143.10 2.37 9.55 13.83 115.40 -111.07 -86.27 138.30 97.10 2.73 0.17 69.00 28.06 0.47 0.06 0.09 0.00 1.67 0.63 6 P C C 81.09 4.99 8.43 15.32 115.20 -103.49 -67.37 148.10 99.12 0.51 0.37 89.73 7.84 1.61 0.10 0.24 0.00 0.29 0.20 7 P C C 107.33 2.29 9.45 13.23 106.34 -106.52 -70.82 135.18 96.08 0.69 3.24 71.40 10.30 13.68 0.47 3.41 0.00 0.36 0.39 8 H C C 152.44 1.83 7.93 11.20 104.37 -141.94 -88.97 31.20 94.57 0.98 4.44 36.21 24.49 33.52 0.56 4.20 0.00 0.46 0.55 9 G C S 59.92 1.49 9.78 12.13 103.55 43.47 -81.67 0.89 94.68 1.10 4.22 28.70 39.96 25.72 0.50 4.00 0.00 0.52 0.60 10 S C S 84.75 1.87 10.48 13.66 115.56 47.61 -106.48 125.49 97.56 1.48 0.96 45.77 50.31 1.68 0.36 0.44 0.00 0.54 0.89 11 P C C 76.77 7.02 8.22 16.83 115.56 -114.37 -70.48 149.23 95.47 1.52 3.01 79.32 11.54 4.60 1.52 1.31 0.00 0.66 1.06 12 N C C 94.45 3.34 11.15 16.06 109.94 -117.52 -81.60 122.51 92.48 1.82 5.71 82.45 6.30 3.37 4.64 1.13 0.00 0.61 1.50 13 W H H 183.30 2.44 10.04 14.19 94.17 -148.87 -64.55 -32.14 28.24 0.41 71.35 7.73 6.23 15.52 64.50 5.49 0.09 0.18 0.25 14 L H H 124.22 1.00 12.54 12.96 92.82 56.97 -66.82 -36.97 25.10 0.20 74.70 3.50 3.49 18.01 69.27 5.44 0.07 0.09 0.12 15 K H H 112.84 3.20 12.39 16.78 94.30 48.93 -70.58 -34.34 17.10 0.42 82.48 5.48 2.56 9.71 76.10 5.67 0.06 0.21 0.21 16 V H H 65.22 5.70 11.44 19.04 92.67 54.44 -63.94 -42.09 2.76 0.04 97.20 1.04 0.48 1.33 96.00 1.10 0.01 0.02 0.02 17 G H H 39.40 2.23 15.12 17.56 91.81 50.94 -63.63 -41.55 1.94 0.03 98.03 0.61 0.27 1.09 97.08 0.92 0.01 0.02 0.01 18 L H H 98.15 1.89 15.78 17.37 92.28 49.52 -65.15 -41.00 1.89 0.03 98.08 0.51 0.26 1.13 97.15 0.92 0.01 0.02 0.01 19 T H H 60.14 4.69 14.22 20.47 92.20 50.22 -64.52 -41.64 2.20 0.03 97.76 0.61 0.31 1.29 97.13 0.63 0.01 0.01 0.01 20 L H H 93.68 2.98 16.08 19.50 92.05 49.52 -64.93 -40.89 2.26 0.02 97.72 0.52 0.27 1.38 97.40 0.41 0.01 0.01 0.01 21 G H H 38.63 2.00 16.38 17.97 92.00 50.60 -64.17 -41.44 3.01 0.02 96.98 0.63 0.30 1.90 96.80 0.36 0.00 0.00 0.01 22 T H H 69.77 2.71 15.89 18.95 92.49 49.76 -65.56 -40.91 2.60 0.01 97.39 0.57 0.29 1.58 97.24 0.31 0.00 0.00 0.00 23 S H H 50.84 3.94 14.71 19.95 92.37 51.92 -64.65 -41.52 1.39 0.01 98.60 0.39 0.17 0.75 98.53 0.15 0.00 0.00 0.00 24 V H H 84.84 1.96 16.01 17.62 91.91 50.30 -64.31 -41.64 0.40 0.00 99.60 0.09 0.03 0.21 99.61 0.06 0.00 0.00 0.00 25 F H H 122.66 1.61 15.57 16.58 91.82 50.07 -64.26 -41.81 0.17 0.00 99.83 0.03 0.01 0.09 99.83 0.04 0.00 0.00 0.00 26 L H H 91.48 2.48 14.60 17.57 91.70 50.00 -64.33 -41.53 0.12 0.00 99.88 0.02 0.00 0.08 99.87 0.03 0.00 0.00 0.00 27 W H H 146.63 2.14 14.73 17.07 91.88 50.44 -64.52 -41.10 0.13 0.00 99.87 0.01 0.01 0.09 99.85 0.04 0.00 0.00 0.00 28 I H H 96.59 1.68 15.10 16.33 91.58 49.99 -64.40 -41.59 0.18 0.00 99.82 0.01 0.01 0.13 99.80 0.05 0.00 0.00 0.00 29 Y H H 126.37 1.95 14.72 16.64 91.78 49.64 -64.67 -41.50 0.37 0.00 99.63 0.02 0.02 0.28 99.58 0.09 0.00 0.00 0.00 30 L H H 87.80 2.57 14.21 17.46 91.86 50.30 -64.64 -41.74 0.69 0.00 99.30 0.04 0.04 0.55 99.23 0.13 0.00 0.00 0.00 31 I H H 96.31 1.91 14.74 16.57 91.92 49.34 -64.87 -41.63 0.99 0.01 99.01 0.11 0.08 0.73 98.82 0.24 0.00 0.00 0.00 32 K H H 121.04 1.55 15.43 16.34 91.95 49.57 -65.31 -40.96 1.63 0.01 98.36 0.20 0.12 1.22 97.99 0.46 0.00 0.00 0.00 33 Q H H 97.40 2.24 14.83 17.29 92.40 49.08 -65.36 -40.48 3.48 0.01 96.51 0.32 0.27 2.76 96.00 0.62 0.00 0.00 0.01 34 H H H 102.83 2.69 14.23 17.66 92.56 49.87 -65.64 -39.81 8.41 0.03 91.56 1.20 0.84 6.03 91.23 0.67 0.01 0.01 0.01 35 N H H 89.71 2.06 15.12 17.19 92.22 50.44 -65.64 -40.02 5.57 0.02 94.41 1.63 0.60 2.92 94.28 0.56 0.00 0.01 0.01 36 E H H 109.20 1.76 15.78 16.99 92.32 50.08 -65.49 -40.79 1.22 0.00 98.77 0.20 0.12 0.75 98.66 0.27 0.00 0.00 0.00 37 D H H 76.81 2.57 14.84 17.93 92.23 50.29 -64.74 -40.66 1.20 0.00 98.80 0.19 0.10 0.78 98.62 0.31 0.00 0.00 0.00 38 V H H 77.17 2.63 14.63 17.90 91.92 49.93 -64.83 -41.45 0.79 0.00 99.21 0.09 0.06 0.54 99.10 0.21 0.00 0.00 0.00 39 L H H 87.19 1.98 14.94 16.91 91.79 50.25 -64.12 -41.25 0.50 0.00 99.50 0.06 0.03 0.29 99.50 0.11 0.00 0.00 0.00 40 E H H 97.86 1.87 14.67 16.44 91.83 50.30 -64.18 -41.31 0.45 0.00 99.55 0.06 0.03 0.26 99.55 0.10 0.00 0.00 0.00 41 Y H H 111.95 2.45 12.81 16.16 91.95 49.65 -65.08 -41.25 0.46 0.00 99.54 0.06 0.03 0.29 99.48 0.14 0.00 0.00 0.00 42 K H H 107.85 2.39 12.03 15.43 92.07 50.28 -64.77 -40.78 0.69 0.00 99.30 0.09 0.05 0.44 99.18 0.23 0.00 0.00 0.00 43 R H H 157.95 1.16 11.97 12.99 92.48 49.16 -66.07 -39.77 1.55 0.00 98.44 0.14 0.09 1.18 98.14 0.45 0.00 0.00 0.00 44 R H H 169.79 0.99 10.94 11.82 92.91 48.45 -68.90 -32.08 7.86 0.01 92.13 0.26 0.33 7.24 91.55 0.60 0.01 0.00 0.00 45 N C T 108.79 1.90 9.90 12.74 95.39 42.36 -91.54 -0.36 72.07 0.03 27.90 0.59 1.59 68.95 28.08 0.76 0.00 0.01 0.03 46 G C T 61.01 1.03 10.51 11.96 95.63 -112.19 74.92 12.82 98.71 0.04 1.25 4.39 2.76 91.84 0.80 0.18 0.00 0.01 0.02 47 L C C 102.43 3.75 7.30 13.00 107.12 133.24 -88.68 77.80 98.75 0.37 0.87 95.91 1.00 2.13 0.39 0.21 0.00 0.14 0.22 48 E C C 139.71 2.38 12.09 15.87 112.35 -140.90 -96.19 128.04 99.96 0.03 0.01 99.86 0.08 0.03 0.00 0.00 0.00 0.01 0.00