# 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 R C C 160.57 3.25 11.64 16.62 114.37 -157.05 -93.39 131.51 99.81 0.12 0.07 99.36 0.36 0.16 0.03 0.01 0.00 0.05 0.04 1 S C C 72.88 4.51 8.45 14.76 112.59 -119.18 -87.60 131.71 95.58 0.79 3.63 88.90 1.77 5.64 1.44 1.41 0.00 0.37 0.47 2 K C C 155.29 1.90 10.12 13.28 103.31 -153.00 -81.85 5.36 93.38 1.25 5.37 42.79 24.35 26.61 1.63 3.36 0.00 0.59 0.67 3 K C C 123.70 4.44 10.28 16.39 113.97 78.44 -93.92 129.82 90.25 2.81 6.94 44.34 26.35 19.86 2.92 3.51 0.01 1.12 1.90 4 S C C 46.30 4.88 12.65 19.29 119.08 -141.43 -86.03 154.67 94.41 0.68 4.92 82.60 10.35 0.85 5.17 0.35 0.00 0.19 0.48 5 P H H 67.96 8.76 12.22 22.18 92.04 -111.80 -59.82 -36.76 9.14 0.04 90.82 2.78 1.24 5.04 89.07 1.82 0.01 0.02 0.03 6 M H H 100.04 4.86 14.39 20.41 92.12 52.99 -65.28 -39.28 3.93 0.03 96.04 0.95 0.48 2.42 93.89 2.22 0.01 0.01 0.01 7 E H H 102.23 2.31 15.87 18.25 92.03 50.31 -65.27 -39.91 1.64 0.02 98.34 0.57 0.22 0.86 95.85 2.49 0.00 0.01 0.00 8 L H H 59.99 7.15 13.46 22.29 92.07 51.32 -64.75 -40.82 1.59 0.02 98.39 0.53 0.20 0.86 96.29 2.10 0.00 0.01 0.01 9 I H H 59.01 11.05 12.30 24.33 92.11 51.34 -65.24 -36.96 2.08 0.01 97.90 0.30 0.16 1.48 92.74 5.30 0.00 0.01 0.00 10 S H H 77.45 3.07 14.79 18.82 91.35 56.48 -70.12 -21.50 16.16 0.01 83.83 0.46 0.51 15.19 78.63 5.19 0.01 0.00 0.01 11 E H H 138.04 1.90 15.47 17.24 94.61 54.83 -85.30 -10.56 47.09 0.03 52.88 0.98 2.00 43.70 49.22 4.05 0.01 0.01 0.03 12 V C S 50.56 13.12 8.98 22.42 117.92 89.27 -93.98 131.62 99.54 0.29 0.16 17.74 81.66 0.23 0.12 0.02 0.00 0.06 0.18 13 P C C 89.68 2.36 18.65 20.75 115.25 -112.92 -65.86 148.99 99.54 0.45 0.01 98.13 1.46 0.07 0.00 0.00 0.00 0.24 0.09 14 P C C 65.75 14.79 11.32 25.69 114.81 -103.21 -66.65 142.70 93.80 6.19 0.01 89.28 4.39 0.10 0.00 0.01 0.00 5.95 0.26 15 I E E 71.27 9.40 16.76 27.50 120.89 -156.26 -116.42 129.37 3.91 96.08 0.01 3.63 0.23 0.01 0.00 0.00 0.00 94.75 1.38 16 K E E 129.83 4.89 18.52 24.92 114.10 -127.63 -81.29 130.69 3.92 96.07 0.01 3.83 0.11 0.01 0.00 0.00 0.00 95.41 0.63 17 V E E 26.52 18.76 9.24 27.24 121.15 -168.34 -117.39 131.81 47.68 52.23 0.09 47.55 0.68 0.11 0.01 0.06 0.00 50.69 0.89 18 D C T 121.16 1.34 18.34 18.77 107.13 -155.49 -94.53 89.57 69.80 28.99 1.21 20.12 19.50 31.43 0.09 1.30 0.00 26.25 1.31 19 G C S 43.53 3.73 18.24 22.35 131.09 16.41 107.80 -173.97 89.17 9.71 1.12 3.79 44.70 40.72 0.03 1.11 0.00 9.32 0.34 20 R C S 114.86 11.87 16.05 27.62 105.75 -67.95 -90.84 36.95 76.09 22.93 0.98 30.63 41.26 3.34 0.06 0.94 0.00 23.21 0.56 21 I E E 76.61 9.07 20.42 29.96 119.55 50.90 -111.92 127.86 13.67 86.29 0.03 12.78 0.75 0.06 0.01 0.02 0.00 85.85 0.53 22 V E E 16.57 21.47 15.65 37.07 125.34 -171.42 -121.54 138.56 1.54 98.46 0.00 1.49 0.04 0.00 0.00 0.00 0.00 98.26 0.20 23 A E E 39.71 10.36 24.83 35.52 130.95 -167.82 -127.79 148.03 3.51 96.47 0.01 3.24 0.16 0.01 0.00 0.00 0.00 96.39 0.18 24 C E E 17.91 20.31 15.25 35.18 120.63 -144.04 -108.45 134.86 36.11 63.79 0.10 31.95 2.80 0.26 0.02 0.08 0.00 63.93 0.96 25 E C C 93.66 7.09 20.92 28.43 102.24 -138.16 -85.37 13.53 74.95 24.67 0.38 65.71 6.98 1.30 0.10 0.33 0.00 23.34 2.23 26 G C C 30.57 12.12 13.51 25.75 105.39 -140.99 77.22 8.15 93.53 5.11 1.35 66.28 17.42 9.53 0.26 1.35 0.00 3.25 1.90 27 D C S 88.00 5.02 13.97 20.13 117.80 137.85 -97.46 162.81 95.21 2.02 2.77 27.63 37.45 29.86 0.38 2.70 0.00 0.97 1.01 28 T C S 115.23 1.56 13.15 15.11 97.76 -69.64 -78.93 -9.45 95.60 1.13 3.27 15.04 52.33 28.24 0.50 2.67 0.00 0.50 0.72 29 N C C 82.40 4.85 11.44 18.13 109.09 70.88 -108.86 96.27 95.98 2.44 1.58 58.65 33.68 3.23 0.44 1.12 0.00 0.73 2.15 30 P H G 88.24 6.25 10.38 18.62 94.36 -169.24 -64.02 -25.83 37.28 0.38 62.34 5.84 4.65 24.31 2.41 62.43 0.00 0.20 0.16 31 A H G 83.98 2.21 13.70 16.74 92.99 61.66 -70.35 -20.83 36.41 0.23 63.36 1.92 3.45 29.24 2.51 62.66 0.00 0.12 0.10 32 L H G 87.78 6.18 13.30 20.84 97.56 46.80 -90.20 -6.35 37.53 0.60 61.87 4.30 5.90 26.55 3.07 59.59 0.00 0.33 0.26 33 G C C 33.94 8.62 15.39 24.97 103.43 -130.02 74.06 11.75 85.33 3.88 10.79 45.41 22.86 16.90 2.12 8.31 0.01 1.42 2.98 34 H C C 64.31 13.50 14.32 28.18 119.38 138.64 -95.01 139.85 92.26 7.55 0.19 63.07 29.47 0.67 0.05 0.15 0.00 4.02 2.57 35 P C C 50.39 10.20 18.84 29.75 115.02 -106.54 -68.09 149.82 92.47 7.47 0.06 74.98 16.82 0.57 0.01 0.06 0.00 7.00 0.56 36 I E E 74.81 13.45 17.20 30.55 120.77 -141.18 -107.80 134.08 10.74 89.25 0.01 9.20 1.36 0.05 0.00 0.01 0.00 88.75 0.63 37 E E E 49.95 14.52 17.76 32.76 125.71 -171.44 -123.97 137.36 0.73 99.27 0.00 0.66 0.02 0.00 0.00 0.00 0.00 99.29 0.02 38 F E E 85.83 10.83 20.57 31.97 118.71 -149.36 -104.98 129.03 0.46 99.54 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.57 0.01 39 I E E 17.52 19.50 16.48 36.43 120.76 -168.49 -117.19 128.75 1.55 98.45 0.00 1.42 0.05 0.00 0.00 0.00 0.00 98.45 0.07 40 C E E 43.39 7.33 22.31 30.92 109.17 -135.84 -90.37 116.36 11.03 88.90 0.07 10.92 0.27 0.04 0.02 0.03 0.00 88.29 0.43 41 L C T 28.51 19.68 12.36 32.08 95.91 -167.31 -79.23 -11.86 85.63 12.04 2.33 26.06 14.31 45.23 0.18 2.28 0.00 11.22 0.73 42 D C T 108.39 2.45 18.23 20.87 94.39 69.39 -85.36 -2.30 93.80 4.82 1.38 22.63 20.98 50.11 0.12 1.58 0.00 3.93 0.66 43 L C C 65.60 8.53 9.95 20.27 120.19 95.16 -88.65 149.74 95.08 3.77 1.15 52.66 37.30 5.21 0.18 1.04 0.00 2.17 1.44 44 N C S 135.07 1.38 14.38 15.98 97.35 -127.73 -79.32 -0.64 98.16 1.66 0.18 27.87 65.85 4.54 0.02 0.18 0.00 1.23 0.31 45 E C S 114.76 2.40 17.44 20.31 131.63 54.23 -129.54 156.89 95.72 4.24 0.04 11.18 84.14 0.85 0.00 0.03 0.00 3.46 0.33 46 P C C 67.67 10.57 14.47 25.83 113.97 -75.05 -65.95 143.43 88.54 11.43 0.03 85.39 2.48 0.22 0.00 0.03 0.00 11.51 0.36 47 A E E 23.48 14.42 15.56 30.98 129.75 -169.38 -128.99 147.78 9.53 90.45 0.02 8.53 0.85 0.04 0.00 0.01 0.00 89.44 1.12 48 I E E 90.70 6.63 22.02 29.25 119.05 -130.30 -104.18 131.76 1.84 98.16 0.00 1.84 0.07 0.00 0.01 0.00 0.00 90.66 7.42 49 C C C 8.31 22.04 10.29 32.53 109.84 -121.59 -72.95 125.93 86.36 13.62 0.02 87.87 0.18 0.02 0.00 0.01 0.00 11.11 0.80 50 K C T 135.14 3.50 19.26 23.63 92.84 -150.41 -68.51 -25.90 99.76 0.06 0.18 0.23 2.85 96.71 0.00 0.16 0.00 0.04 0.01 51 Y C T 112.95 8.22 16.98 25.92 100.31 45.58 -84.11 -40.31 99.79 0.04 0.16 0.05 1.80 98.02 0.00 0.10 0.00 0.01 0.01 52 C C T 46.66 9.95 15.18 26.37 102.97 17.71 -109.52 -13.17 99.81 0.06 0.13 0.19 2.12 97.55 0.00 0.10 0.00 0.03 0.01 53 G C C 38.18 5.93 18.21 25.45 94.86 -120.85 80.59 7.11 99.33 0.58 0.09 90.83 4.24 4.29 0.02 0.06 0.00 0.35 0.21 54 L C C 41.34 13.17 15.12 29.73 117.40 144.59 -75.10 141.70 94.34 5.65 0.00 94.13 1.01 0.02 0.00 0.00 0.00 4.32 0.51 55 R E E 98.36 9.41 21.77 31.70 118.15 -133.81 -96.90 134.87 1.10 98.90 0.00 1.09 0.03 0.00 0.00 0.00 0.00 96.70 2.17 56 Y E E 21.04 21.47 15.84 37.17 128.62 -173.16 -122.20 148.25 1.72 98.28 0.00 1.70 0.05 0.00 0.00 0.00 0.00 98.18 0.07 57 V E E 49.17 9.49 21.65 32.18 124.55 -150.06 -118.33 139.95 8.75 91.20 0.05 8.46 0.34 0.04 0.02 0.03 0.00 89.93 1.18 58 Q C C 56.02 14.51 13.47 28.29 113.50 -124.99 -82.59 135.03 58.79 39.75 1.46 52.31 4.28 1.40 0.27 1.21 0.00 39.12 1.41 59 D C C 86.72 5.87 13.56 20.78 111.21 -141.75 -88.48 125.78 89.86 5.58 4.56 42.21 24.86 22.35 0.40 4.94 0.00 4.60 0.64 60 H C C 141.35 3.16 11.58 16.11 102.67 -131.44 -81.75 38.11 94.14 1.63 4.23 62.96 7.72 23.11 0.47 4.14 0.00 1.16 0.44 61 H C C 112.97 6.68 11.02 19.09 106.09 123.61 -92.78 42.67 99.72 0.21 0.08 99.42 0.20 0.18 0.01 0.02 0.00 0.13 0.03