# 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 142.53 1.79 9.27 12.46 116.53 -159.06 -98.33 134.34 99.88 0.11 0.01 99.80 0.10 0.03 0.00 0.00 0.00 0.06 0.01 1 V C C 118.62 2.06 6.41 10.52 117.01 -146.16 -96.69 134.43 92.20 6.98 0.82 91.58 0.66 0.77 0.31 0.25 0.00 4.41 2.01 2 K C C 159.83 1.25 7.03 9.87 118.03 -149.33 -100.00 135.75 86.94 11.50 1.56 77.19 7.00 2.09 0.59 0.96 0.00 8.05 4.11 3 R C C 179.88 1.66 6.90 10.40 115.67 -129.00 -91.60 132.49 87.97 9.52 2.52 78.08 6.61 2.89 0.70 1.90 0.00 7.20 2.63 4 T C C 106.04 1.80 7.61 11.10 115.50 -159.43 -101.16 133.03 92.00 5.46 2.54 65.66 19.82 6.43 0.61 2.13 0.00 3.64 1.71 5 Y C C 164.98 2.62 7.29 11.94 116.78 -144.50 -103.06 131.57 92.36 5.35 2.29 64.13 23.43 4.55 0.76 1.62 0.00 2.53 2.97 6 Q C C 133.41 1.86 9.36 12.89 117.07 -162.74 -111.52 124.74 97.46 1.75 0.78 83.34 13.51 0.70 0.50 0.26 0.00 0.89 0.79 7 P C C 84.99 4.97 7.92 14.86 113.40 -114.33 -66.75 147.70 90.01 1.31 8.68 74.07 7.36 8.58 5.85 2.75 0.00 0.67 0.72 8 N C C 102.95 2.92 9.45 14.01 112.06 -126.85 -87.99 131.42 85.85 1.34 12.81 67.30 9.13 8.97 9.98 3.19 0.00 0.57 0.85 9 K C H 153.54 1.91 9.60 12.79 98.02 -148.11 -76.33 -18.83 52.77 1.39 45.84 29.95 15.71 8.25 40.43 4.43 0.02 0.59 0.61 10 R H H 156.66 1.61 10.51 12.81 95.89 69.21 -69.21 -34.86 32.96 0.87 66.18 19.47 7.25 7.38 60.38 4.76 0.01 0.46 0.29 11 K H H 120.92 2.74 11.47 15.25 94.71 54.64 -68.33 -37.83 21.68 0.88 77.45 13.56 3.87 5.78 70.14 5.86 0.01 0.53 0.25 12 H H H 98.34 4.97 10.80 17.41 94.22 54.68 -67.89 -37.06 15.66 0.67 83.67 8.96 2.85 5.12 76.21 6.24 0.02 0.42 0.18 13 S H H 64.89 3.14 12.70 17.00 93.60 54.56 -67.78 -36.99 16.63 0.64 82.73 8.30 2.98 6.41 76.27 5.45 0.02 0.39 0.19 14 K H H 132.86 2.07 13.84 16.23 95.25 49.48 -74.75 -32.23 21.49 0.91 77.60 10.08 4.00 8.65 71.93 4.47 0.04 0.51 0.32 15 V H H 76.06 4.89 12.99 19.20 98.59 49.01 -78.26 -36.10 30.16 1.17 68.68 14.02 6.34 10.65 65.27 2.65 0.05 0.55 0.47 16 H H H 99.60 4.39 13.94 19.42 99.04 48.73 -80.82 -26.40 45.48 1.18 53.34 20.67 9.37 14.86 52.06 1.98 0.03 0.48 0.55 17 G H H 30.70 4.91 14.31 20.57 99.06 52.12 -57.29 -39.31 47.26 0.83 51.91 28.14 9.28 9.45 50.38 2.05 0.01 0.33 0.36 18 F H H 100.94 6.48 12.60 20.33 93.75 48.16 -65.61 -39.05 11.19 0.25 88.55 4.63 2.25 5.13 85.02 2.67 0.07 0.13 0.11 19 R H H 146.24 2.37 14.79 17.67 92.50 51.90 -65.33 -40.22 5.68 0.17 94.15 1.84 0.93 3.16 90.16 3.70 0.05 0.11 0.05 20 K H H 125.06 1.81 15.88 17.34 92.42 50.06 -66.19 -39.29 4.72 0.14 95.14 1.38 0.71 2.73 89.12 5.89 0.04 0.10 0.04 21 R H H 93.82 6.55 12.58 20.79 92.74 50.55 -68.55 -35.26 6.44 0.14 93.43 1.36 0.84 4.23 86.75 6.64 0.05 0.08 0.04 22 M H H 86.18 7.09 11.33 20.00 93.21 56.14 -74.04 -18.28 26.14 0.21 73.65 2.97 2.19 20.60 67.84 6.10 0.07 0.11 0.12 23 S C T 85.88 1.44 14.10 15.34 94.19 62.72 -82.37 -11.13 68.76 0.49 30.76 8.16 7.85 51.98 26.98 4.44 0.06 0.19 0.34 24 T C S 60.12 4.80 9.01 16.08 121.16 88.73 -87.41 154.34 96.24 0.98 2.77 14.18 80.04 1.54 2.79 0.23 0.00 0.18 1.05 25 K H H 170.06 0.70 13.04 12.87 94.16 -111.59 -62.29 -35.07 47.30 0.10 52.60 1.39 6.39 38.52 51.28 2.21 0.09 0.03 0.09 26 N H H 106.37 1.97 12.83 15.18 94.65 43.36 -71.84 -21.69 42.52 0.09 57.40 1.96 3.92 35.52 56.51 1.94 0.05 0.03 0.07 27 G H H 20.38 8.26 10.14 20.41 93.32 68.73 -61.64 -39.60 11.05 0.08 88.88 4.21 1.90 5.11 87.01 1.68 0.01 0.03 0.04 28 R H H 135.84 3.06 14.60 18.63 91.97 52.17 -64.72 -40.06 3.40 0.03 96.57 1.10 0.41 1.66 96.12 0.68 0.00 0.01 0.01 29 K H H 124.90 1.55 17.26 17.70 92.37 50.29 -65.33 -41.09 2.32 0.04 97.64 0.80 0.30 1.12 97.26 0.49 0.00 0.02 0.01 30 V H H 61.68 4.16 15.55 20.97 91.88 49.56 -64.03 -42.99 1.23 0.05 98.72 0.56 0.16 0.48 98.52 0.23 0.00 0.03 0.01 31 L H H 59.80 6.54 14.23 22.55 91.86 49.62 -64.07 -41.88 0.49 0.00 99.50 0.15 0.04 0.23 99.43 0.14 0.00 0.00 0.00 32 A H H 50.94 2.61 15.74 18.87 91.39 50.90 -62.85 -41.46 0.60 0.00 99.40 0.11 0.04 0.34 99.35 0.16 0.00 0.00 0.00 33 R H H 127.16 1.70 15.86 16.95 91.96 50.14 -64.78 -41.06 1.09 0.01 98.90 0.16 0.07 0.71 98.76 0.29 0.00 0.00 0.00 34 R H H 102.62 4.83 12.50 18.84 92.14 50.43 -65.35 -40.70 2.48 0.02 97.51 0.52 0.21 1.55 97.06 0.64 0.00 0.01 0.00 35 R H H 136.24 3.43 12.02 16.89 91.85 51.10 -65.06 -38.47 6.72 0.05 93.24 1.30 0.57 4.48 91.99 1.62 0.01 0.02 0.02 36 R H H 180.97 0.80 12.88 12.85 92.04 51.96 -67.89 -30.25 18.53 0.11 81.36 1.75 1.32 15.26 79.80 1.74 0.03 0.04 0.05 37 K C T 147.17 1.34 11.06 12.68 96.18 52.13 -84.78 -5.68 67.73 0.19 32.09 2.81 4.26 57.95 33.11 1.67 0.01 0.06 0.13 38 G C T 53.39 2.36 10.45 14.11 102.71 -98.64 83.49 10.91 92.57 0.47 6.95 15.18 8.80 68.47 5.98 1.17 0.00 0.22 0.19 39 R C C 149.29 3.74 8.16 13.88 114.16 139.89 -88.25 130.11 91.37 3.14 5.49 76.65 8.81 5.90 3.31 2.12 0.00 2.02 1.19 40 K C C 150.88 2.04 9.55 13.21 117.82 -156.73 -103.82 135.33 86.04 7.20 6.75 67.55 12.02 6.23 3.74 3.10 0.00 5.87 1.49 41 V C C 114.63 2.56 8.24 12.63 115.25 -145.58 -97.88 129.35 77.27 15.16 7.57 61.02 10.37 5.52 4.30 3.42 0.01 12.51 2.86 42 L C C 127.35 2.49 6.96 11.32 112.35 -142.71 -93.31 121.19 75.45 16.44 8.12 57.18 10.01 8.02 4.36 3.78 0.01 14.02 2.62 43 S C C 89.51 1.51 7.87 10.92 118.59 -158.00 -107.52 140.63 84.23 10.76 5.00 75.06 3.08 6.32 2.57 1.88 0.00 9.27 1.81 44 A C C 85.52 2.92 9.59 14.24 108.61 -122.03 -83.30 130.01 99.65 0.30 0.04 99.45 0.19 0.10 0.02 0.01 0.00 0.21 0.03