# 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 G C C 38.16 5.24 12.41 19.12 126.57 -140.50 109.84 172.13 99.96 0.04 0.00 99.72 0.22 0.03 0.00 0.00 0.00 0.01 0.01 1 P C C 109.46 2.38 11.11 14.69 109.82 -56.01 -72.12 140.29 88.60 0.70 10.70 68.26 2.71 18.17 2.06 8.05 0.00 0.43 0.32 2 G C C 56.72 2.58 9.25 13.33 107.49 -51.98 -78.94 19.87 84.26 1.64 14.10 38.97 14.54 30.75 2.12 12.04 0.00 0.83 0.76 3 S C C 88.93 2.17 9.71 13.27 108.89 -126.03 -92.84 87.60 77.46 3.00 19.54 42.12 18.80 16.75 3.85 15.55 0.01 1.54 1.39 4 M C C 121.62 4.51 8.58 14.85 115.00 115.91 -94.11 131.69 77.25 5.22 17.53 47.34 20.09 10.42 6.67 10.37 0.01 2.96 2.13 5 A C C 71.92 5.24 9.71 16.62 112.81 -123.27 -83.47 138.89 78.66 7.68 13.66 55.53 12.83 10.43 5.70 7.87 0.01 5.41 2.22 6 R C C 168.24 2.49 12.71 16.54 114.33 -142.63 -97.07 127.42 73.71 15.19 11.10 52.13 12.88 8.56 4.99 6.26 0.03 11.13 4.02 7 A C C 63.49 9.40 8.90 19.14 117.93 -144.96 -92.05 138.21 76.36 18.89 4.75 62.40 9.99 3.39 2.45 2.32 0.00 15.96 3.49 8 R C C 144.28 4.38 14.04 20.27 119.99 -163.17 -112.65 140.42 66.86 30.29 2.85 53.39 9.80 2.64 1.50 1.47 0.00 26.58 4.62 9 K C C 142.88 3.98 14.77 20.75 117.13 -123.76 -88.84 137.46 68.44 30.22 1.34 44.90 18.46 5.11 0.42 0.87 0.00 28.80 1.43 10 G E E 27.03 10.33 14.06 25.37 140.64 135.57 -165.87 -174.91 48.00 51.62 0.38 28.40 16.59 3.39 0.06 0.34 0.00 50.48 0.74 11 A E E 46.05 9.84 17.28 28.33 125.96 -86.95 -122.26 142.39 11.29 88.65 0.06 10.10 0.96 0.09 0.02 0.03 0.00 88.18 0.62 12 L E E 83.18 9.44 18.17 28.48 114.96 -137.24 -94.03 126.51 3.19 96.80 0.01 2.98 0.14 0.01 0.00 0.00 0.00 96.65 0.22 13 V E E 29.10 17.96 13.83 31.98 123.14 -169.42 -117.51 136.19 3.37 96.63 0.01 3.31 0.09 0.01 0.00 0.00 0.00 96.36 0.23 14 Q E E 119.05 3.90 21.47 26.32 117.38 -152.43 -103.92 130.01 14.21 85.78 0.01 12.67 1.12 0.06 0.00 0.01 0.00 85.56 0.59 15 C C C 32.09 16.46 11.11 27.33 138.64 146.35 -150.18 164.92 78.89 21.09 0.02 64.17 13.86 0.14 0.00 0.02 0.00 20.93 0.88 16 D C C 77.21 4.25 17.60 22.35 112.42 -86.54 -71.16 140.58 99.81 0.17 0.02 99.06 0.81 0.02 0.01 0.00 0.00 0.08 0.03 17 P H H 92.28 4.76 13.86 20.41 91.68 -118.64 -58.28 -36.12 3.36 0.00 96.64 0.22 0.24 2.68 95.89 0.97 0.00 0.00 0.00 18 S H H 72.51 2.06 17.94 19.50 91.88 54.15 -64.66 -38.92 2.27 0.00 97.73 0.13 0.12 1.85 96.83 1.06 0.00 0.00 0.00 19 I H H 40.95 13.45 15.72 29.74 92.42 48.37 -66.40 -40.59 0.45 0.00 99.55 0.07 0.03 0.27 98.93 0.70 0.00 0.00 0.00 20 K H H 54.20 16.07 15.51 31.25 91.39 53.92 -61.84 -42.18 0.09 0.00 99.91 0.01 0.00 0.04 99.92 0.03 0.00 0.00 0.00 21 A H H 56.93 2.74 22.01 23.92 91.19 51.67 -63.32 -41.38 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 22 L H H 62.65 7.24 21.04 29.03 91.61 50.25 -63.88 -42.55 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 23 I H H 9.92 22.31 16.29 38.67 91.79 49.81 -64.02 -42.69 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 24 L H H 66.77 9.45 19.97 30.01 91.41 51.20 -63.25 -41.45 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 25 Q H H 104.80 1.97 22.51 22.83 91.92 50.20 -64.57 -41.06 0.29 0.00 99.71 0.02 0.01 0.21 99.71 0.05 0.00 0.00 0.00 26 I H H 28.67 12.05 16.58 30.23 92.03 49.71 -64.98 -41.92 0.97 0.00 99.03 0.07 0.06 0.72 98.99 0.15 0.00 0.00 0.00 27 D H H 31.19 15.13 13.03 28.47 92.30 51.99 -65.58 -37.53 3.62 0.01 96.37 0.49 0.28 2.50 96.19 0.52 0.00 0.00 0.00 28 A H H 75.63 2.66 16.19 19.47 92.29 52.87 -66.90 -34.53 10.83 0.02 89.15 0.59 0.63 9.38 88.14 1.23 0.02 0.01 0.01 29 K H H 145.04 1.62 16.14 17.40 96.39 43.36 -78.15 -32.70 17.94 0.06 82.00 1.01 1.57 15.13 81.09 1.11 0.03 0.02 0.03 30 M H H 85.30 8.61 12.30 21.94 103.47 29.54 -104.39 -5.60 47.42 0.45 52.13 15.26 10.88 21.83 49.71 1.84 0.03 0.13 0.31 31 S C C 69.73 5.88 16.05 22.91 104.37 -137.35 13.19 58.02 96.09 0.35 3.56 41.65 21.54 32.68 0.69 3.09 0.00 0.19 0.16 32 D C S 88.42 7.44 18.69 26.60 98.99 -11.67 22.36 30.76 94.93 1.77 3.30 29.39 46.61 18.81 0.32 3.23 0.00 1.35 0.28 33 I E E 22.84 18.80 16.08 34.75 98.70 106.74 -89.21 -21.23 46.78 50.72 2.50 33.68 9.65 3.60 0.49 1.87 0.01 49.49 1.21 34 V E E 23.91 19.03 16.34 35.23 110.97 82.01 -95.82 114.65 9.83 89.54 0.63 8.66 1.22 0.36 0.37 0.29 0.00 88.05 1.05 35 L E E 72.24 10.27 19.66 30.27 102.30 175.50 -97.90 -30.27 5.55 94.11 0.34 4.61 0.75 0.18 0.11 0.15 0.00 94.07 0.13 36 E E E 98.37 4.96 21.27 26.78 128.15 0.28 -136.71 141.08 2.67 97.11 0.21 2.22 0.32 0.09 0.07 0.09 0.00 97.13 0.08 37 E E E 92.00 11.74 12.92 25.21 110.31 -127.72 -84.13 118.62 8.36 91.39 0.25 7.64 0.46 0.14 0.12 0.11 0.00 91.25 0.28 38 L C E 83.43 6.43 13.82 21.99 99.68 177.03 -89.85 -34.39 50.04 49.57 0.38 33.99 13.18 3.17 0.07 0.33 0.00 48.61 0.65 39 D C S 71.66 2.42 17.71 19.81 137.43 -21.76 -155.55 172.16 69.02 30.51 0.47 11.66 44.40 12.71 0.04 0.48 0.00 29.65 1.07 40 D C S 113.31 3.75 14.33 19.75 92.41 -81.92 -68.16 -20.12 99.52 0.23 0.25 1.06 53.54 44.99 0.01 0.22 0.00 0.14 0.04 41 T C S 70.95 8.27 15.10 24.26 104.55 30.10 -114.65 -5.30 98.97 0.86 0.17 1.51 54.72 42.84 0.01 0.16 0.00 0.70 0.06 42 H E E 56.38 10.81 18.23 30.44 129.40 60.23 -129.66 141.35 13.17 86.82 0.02 11.03 1.71 0.08 0.00 0.01 0.00 86.67 0.50 43 L E E 11.53 20.12 17.25 38.03 127.24 -171.60 -127.06 139.26 0.33 99.67 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.65 0.02 44 L E E 32.41 12.17 24.87 38.11 115.67 -141.32 -100.44 128.02 0.13 99.87 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 45 V E E 8.47 22.26 16.25 38.83 128.86 -172.68 -126.76 145.18 1.37 98.63 0.00 1.36 0.03 0.00 0.00 0.00 0.00 98.45 0.16 46 N C C 46.39 8.76 19.85 29.99 111.89 -105.98 -68.72 137.86 88.85 11.12 0.02 88.53 0.50 0.02 0.00 0.01 0.00 10.80 0.13 47 P H G 75.60 9.49 14.62 25.31 91.10 -121.38 -59.22 -31.55 13.71 0.13 86.16 0.84 1.10 11.26 6.23 80.44 0.00 0.11 0.01 48 S H G 90.04 1.11 18.91 18.63 90.50 62.94 -72.07 -16.97 14.15 0.07 85.79 0.52 0.83 12.72 6.86 79.01 0.00 0.05 0.01 49 K H G 57.89 13.34 13.36 27.43 97.32 51.65 -101.68 3.14 11.83 0.09 88.07 2.18 1.17 7.82 11.92 76.82 0.00 0.07 0.02 50 V H H 34.18 17.24 12.66 29.82 92.48 95.57 -59.95 -42.96 1.16 0.00 98.83 0.36 0.12 0.53 98.43 0.57 0.00 0.00 0.00 51 E H H 128.77 1.44 20.97 20.74 91.24 51.82 -64.07 -39.51 0.40 0.00 99.60 0.05 0.02 0.25 99.38 0.29 0.00 0.00 0.00 52 F H H 94.53 4.82 19.67 25.07 91.84 50.03 -65.16 -41.45 0.12 0.00 99.88 0.01 0.00 0.07 99.73 0.18 0.00 0.00 0.00 53 V H H 9.64 20.69 14.30 35.16 92.05 49.98 -64.41 -43.31 0.06 0.00 99.94 0.00 0.00 0.03 99.91 0.05 0.00 0.00 0.00 54 K H H 92.05 8.55 19.38 28.47 91.54 51.23 -62.61 -41.56 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.03 0.00 0.00 0.00 55 H H H 110.37 1.68 21.30 20.95 91.90 49.59 -64.50 -41.74 0.17 0.00 99.83 0.01 0.00 0.11 99.85 0.02 0.00 0.00 0.00 56 E H H 61.94 8.37 18.02 27.71 92.02 49.53 -65.18 -41.30 0.24 0.00 99.76 0.02 0.01 0.15 99.79 0.03 0.00 0.00 0.00 57 L H H 28.84 15.47 14.46 30.62 91.98 50.71 -64.07 -41.43 0.26 0.00 99.74 0.03 0.01 0.15 99.75 0.06 0.00 0.00 0.00 58 N H H 87.67 3.25 18.30 21.73 91.54 51.55 -63.83 -40.14 0.52 0.00 99.48 0.06 0.02 0.33 99.46 0.13 0.00 0.00 0.00 59 R H H 135.69 1.87 17.91 18.98 92.07 50.48 -65.74 -40.55 1.19 0.00 98.80 0.10 0.06 0.90 98.64 0.30 0.00 0.00 0.00 60 L H H 56.03 8.92 13.82 24.25 92.57 49.48 -65.93 -40.44 2.87 0.01 97.12 0.30 0.21 2.14 96.79 0.55 0.00 0.00 0.00 61 L H H 75.68 7.42 12.71 21.48 93.13 50.96 -68.12 -34.20 12.54 0.09 87.36 2.57 1.54 8.48 85.21 2.08 0.02 0.04 0.05 62 S H H 77.66 2.05 13.63 16.16 93.90 57.54 -71.16 -25.71 28.17 0.29 71.55 6.17 3.07 18.91 65.58 5.93 0.04 0.14 0.16 63 K H H 139.72 2.32 12.83 15.90 96.91 59.37 -80.56 -17.44 40.91 0.46 58.63 7.37 5.62 27.86 51.93 6.67 0.07 0.21 0.26 64 N C H 90.16 5.95 9.96 17.45 104.93 59.74 -93.71 39.84 58.19 1.58 40.23 22.26 9.81 27.37 32.77 6.23 0.05 0.69 0.82 65 I C C 107.04 4.54 10.35 16.67 111.53 123.87 -95.25 121.94 80.52 5.78 13.71 49.60 20.06 10.26 11.90 2.60 0.02 2.57 3.00 66 Y C C 141.61 4.66 10.01 16.45 114.63 -154.43 -97.11 132.86 90.29 4.44 5.28 65.69 19.32 4.76 4.32 1.38 0.00 2.23 2.29 67 N C C 91.77 3.91 11.23 16.82 114.56 -148.87 -96.59 128.17 97.04 0.76 2.20 86.43 9.29 1.32 1.79 0.45 0.00 0.35 0.37 68 P C C 85.12 4.52 9.89 16.31 96.64 -133.26 -63.02 -31.69 57.25 0.68 42.07 34.58 7.08 15.80 30.91 10.92 0.00 0.35 0.35 69 M H H 126.03 1.98 10.88 13.69 97.59 57.43 -72.22 -28.17 49.21 0.83 49.97 23.40 9.24 17.28 35.92 13.30 0.02 0.39 0.44 70 D H H 86.35 3.01 10.13 14.54 98.95 57.71 -75.79 -25.63 46.08 1.08 52.83 27.47 8.51 10.73 39.03 13.22 0.01 0.52 0.50 71 E H H 107.59 3.97 8.93 14.55 96.63 68.75 -71.92 -28.80 44.10 1.00 54.91 29.86 6.97 8.35 43.46 10.44 0.01 0.49 0.44 72 E H H 129.61 2.13 9.42 12.80 96.62 61.41 -73.55 -25.85 41.11 0.95 57.95 22.86 6.99 12.01 43.02 14.18 0.02 0.48 0.44 73 E H H 139.99 1.64 8.78 11.53 98.65 61.43 -78.55 -14.66 47.22 1.03 51.75 22.67 7.67 17.82 36.61 14.16 0.03 0.53 0.51 74 N C C 113.61 2.40 7.83 11.80 103.81 73.04 -84.92 29.73 64.80 0.83 34.37 46.63 3.28 16.78 23.00 9.37 0.00 0.42 0.52 75 Q C C 132.80 2.42 10.15 14.14 106.82 120.27 -81.84 74.60 99.78 0.03 0.19 99.38 0.20 0.26 0.12 0.01 0.00 0.01 0.01