# 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 V C C 69.49 10.82 15.05 26.45 118.50 -155.63 -100.89 130.04 99.93 0.07 0.00 99.91 0.04 0.00 0.00 0.00 0.00 0.03 0.00 1 K C C 84.31 9.63 16.24 26.90 120.80 -154.55 -104.60 138.18 63.03 36.96 0.01 63.54 0.32 0.04 0.00 0.01 0.00 35.63 0.46 2 I E E 62.12 10.84 17.69 29.69 119.05 -147.89 -106.59 130.41 14.76 85.23 0.01 13.35 0.68 0.02 0.00 0.00 0.00 85.75 0.19 3 F E E 18.57 19.12 16.29 35.78 128.35 -172.21 -121.79 146.84 1.81 98.19 0.00 1.61 0.08 0.00 0.00 0.00 0.00 98.28 0.02 4 M E E 50.93 10.11 24.55 35.52 120.26 -148.13 -110.41 131.63 0.29 99.71 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.73 0.00 5 V E E 4.00 25.10 16.69 42.66 121.57 -165.20 -115.83 131.18 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 6 R E E 92.85 8.53 25.85 34.71 124.24 -169.76 -120.11 136.76 0.15 99.85 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 7 G E E 6.98 16.32 19.59 36.61 144.01 118.89 -149.41 -171.80 0.20 99.80 0.00 0.16 0.01 0.00 0.00 0.00 0.00 99.83 0.00 8 T E E 44.80 9.49 24.23 34.68 126.64 -83.25 -124.76 141.19 0.20 99.80 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 9 A E E 7.07 21.87 15.89 37.87 125.87 -168.64 -121.49 140.53 1.04 98.95 0.00 0.94 0.03 0.00 0.00 0.00 0.00 99.01 0.03 10 I E E 60.06 8.32 21.40 30.75 115.09 -137.09 -97.22 127.76 7.32 92.65 0.02 6.46 0.50 0.05 0.00 0.01 0.00 92.73 0.24 11 F E E 54.85 14.19 13.47 28.26 118.68 -162.54 -106.10 133.86 41.27 58.33 0.40 33.02 7.31 1.19 0.10 0.32 0.00 56.75 1.31 12 S C C 55.16 6.35 13.23 21.02 116.38 -130.66 -104.99 132.37 70.34 28.56 1.10 53.74 11.99 3.60 0.24 0.94 0.00 27.67 1.82 13 A C C 69.60 4.83 9.99 16.49 109.38 -134.78 -92.44 116.76 82.79 12.74 4.47 35.16 26.88 22.03 0.65 3.81 0.01 9.30 2.16 14 S C T 88.11 1.56 10.05 12.33 108.82 25.58 -84.55 121.84 94.52 1.07 4.41 20.24 32.02 42.13 0.46 4.14 0.00 0.60 0.41 15 R C T 191.16 1.07 10.56 11.89 99.55 -33.99 -72.52 -13.76 94.05 2.16 3.79 20.03 36.55 37.55 0.37 3.56 0.00 1.28 0.66 16 F C C 132.99 2.87 9.86 14.25 114.40 53.45 -111.59 115.88 81.17 17.98 0.86 40.15 36.28 5.84 0.17 0.83 0.00 13.46 3.27 17 P C C 79.50 7.20 9.54 18.30 112.92 -133.63 -74.54 139.23 76.89 22.64 0.46 61.81 10.10 3.35 0.07 0.47 0.00 22.83 1.36 18 T C E 77.36 4.25 14.16 19.93 124.52 -161.60 -119.82 147.18 50.93 48.82 0.26 37.92 10.73 1.73 0.04 0.25 0.00 48.33 1.00 19 S E E 60.95 9.84 12.11 22.94 119.75 -124.53 -95.07 140.99 27.72 72.21 0.07 24.50 2.04 0.27 0.02 0.06 0.00 72.60 0.51 20 Q E E 71.46 9.40 15.14 25.97 125.69 -167.46 -123.69 140.96 4.36 95.62 0.02 3.91 0.32 0.04 0.00 0.01 0.00 95.54 0.19 21 K E E 121.39 6.37 17.06 25.05 116.30 -125.45 -87.42 134.50 3.56 96.44 0.00 3.13 0.20 0.01 0.00 0.00 0.00 96.61 0.05 22 F E E 32.82 15.72 14.17 30.72 133.55 167.12 -136.14 156.66 4.75 95.25 0.00 4.46 0.10 0.00 0.00 0.00 0.00 95.39 0.05 23 T E E 58.53 10.76 18.57 30.17 126.10 -153.51 -124.02 139.63 0.90 99.10 0.00 0.79 0.03 0.00 0.00 0.00 0.00 99.17 0.01 24 K E E 45.39 15.60 17.88 33.80 125.90 -170.02 -124.14 138.07 0.34 99.66 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.00 25 Y E E 87.32 11.32 21.58 33.26 118.30 -151.02 -105.93 127.96 0.25 99.75 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 26 V E E 12.43 19.87 17.54 37.79 127.37 -174.06 -125.97 141.79 0.36 99.64 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.66 0.01 27 R E E 111.06 7.41 24.43 32.33 116.27 -131.21 -90.47 132.18 2.67 97.33 0.00 2.45 0.09 0.01 0.00 0.00 0.00 97.33 0.12 28 A E E 9.71 19.90 12.67 32.51 132.17 -170.99 -129.78 157.75 45.51 54.42 0.08 44.21 1.18 0.09 0.02 0.05 0.00 53.29 1.15 29 L C S 110.63 3.75 19.98 24.25 93.54 -128.91 -73.67 -25.91 99.75 0.23 0.02 3.19 96.23 0.43 0.00 0.01 0.00 0.12 0.02 30 N C S 72.24 3.04 22.91 25.21 139.10 3.81 -150.52 162.32 99.48 0.40 0.12 13.71 85.66 0.27 0.07 0.02 0.00 0.09 0.18 31 E H H 85.09 15.21 13.24 27.97 91.66 -104.96 -59.82 -37.18 3.08 0.00 96.92 0.23 0.38 2.34 92.96 4.08 0.01 0.00 0.00 32 K H H 141.20 2.02 20.76 22.56 91.41 54.13 -63.25 -40.45 2.40 0.01 97.60 0.17 0.18 1.92 93.57 4.15 0.00 0.00 0.00 33 Q H H 75.47 5.31 20.62 26.48 91.79 48.37 -66.03 -39.19 1.67 0.01 98.31 0.35 0.16 1.04 93.41 5.03 0.00 0.01 0.00 34 A H H 3.13 22.51 14.76 37.93 91.40 51.79 -62.72 -43.87 0.44 0.00 99.56 0.14 0.04 0.18 99.49 0.14 0.00 0.00 0.00 35 I H H 38.76 16.78 20.74 36.78 91.58 50.44 -62.69 -42.97 0.14 0.00 99.86 0.03 0.01 0.06 99.88 0.02 0.00 0.00 0.00 36 E H H 100.70 3.13 25.52 27.79 91.54 49.96 -63.79 -42.34 0.08 0.00 99.92 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 37 Y H H 78.13 9.66 23.58 33.57 91.85 48.39 -64.95 -42.10 0.07 0.00 99.92 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 38 I H H 3.02 25.36 18.55 44.16 91.45 48.65 -63.43 -44.07 0.14 0.00 99.86 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 39 Y H H 62.68 16.41 21.13 36.57 91.80 49.31 -63.79 -41.31 0.62 0.00 99.38 0.06 0.03 0.47 99.34 0.09 0.00 0.00 0.00 40 S H H 60.76 3.19 23.83 26.20 92.21 49.86 -65.23 -41.77 4.31 0.01 95.68 0.31 0.24 3.78 95.33 0.31 0.01 0.00 0.01 41 Q H H 67.74 9.02 21.86 31.18 94.48 43.53 -70.79 -41.13 8.40 0.03 91.56 0.44 0.67 7.44 90.72 0.62 0.06 0.01 0.02 42 L H H 9.73 21.09 16.37 37.43 93.07 45.63 -67.14 -42.89 17.35 0.61 82.04 1.68 3.41 12.69 77.82 1.85 1.86 0.15 0.54 43 G H H 15.98 12.32 15.71 29.16 92.96 50.53 -64.68 -40.75 30.27 0.70 69.03 4.80 4.35 21.99 62.24 5.08 0.73 0.30 0.50 44 G H H 46.52 2.52 18.18 20.47 94.22 50.20 -67.82 -40.58 37.66 0.85 61.49 5.38 6.65 26.02 50.60 9.63 0.72 0.40 0.61 45 K H H 125.33 4.26 16.87 22.07 95.19 42.46 -74.78 -33.81 46.51 0.88 52.61 3.29 8.67 34.12 42.49 9.46 0.86 0.38 0.74 46 N C T 56.15 11.45 12.82 25.23 99.12 32.99 -104.32 6.21 70.38 0.52 29.10 3.40 12.35 54.26 21.41 7.69 0.14 0.21 0.54 47 K C T 167.75 1.24 18.87 19.28 93.39 -117.96 60.35 35.17 98.30 0.15 1.55 16.10 11.16 71.25 0.58 0.76 0.00 0.07 0.09 48 I C C 30.20 17.36 9.84 26.97 122.10 142.84 -104.67 145.23 97.08 2.58 0.34 82.94 13.22 0.69 0.16 0.17 0.00 0.90 1.92 49 K C C 115.57 2.72 22.25 23.87 115.24 -113.79 -74.47 148.15 97.56 2.00 0.44 96.84 0.89 0.28 0.09 0.24 0.00 0.78 0.89 50 R H G 93.04 17.17 12.21 28.45 91.79 -116.31 -59.24 -33.04 8.24 0.23 91.53 0.82 0.87 5.03 0.39 92.70 0.00 0.18 0.01 51 Y H G 164.71 2.66 20.16 23.37 90.22 63.82 -70.53 -15.33 8.03 0.25 91.73 0.43 0.69 5.57 0.29 92.81 0.00 0.21 0.01 52 N H G 57.84 10.43 17.90 29.52 94.97 62.18 -91.39 -1.64 8.73 0.37 90.90 1.02 1.02 4.89 0.32 92.43 0.00 0.31 0.01 53 I E E 7.46 25.68 10.95 36.66 120.62 88.28 -105.88 134.15 18.46 81.51 0.03 16.08 2.12 0.07 0.00 0.02 0.00 81.31 0.39 54 H E E 95.46 5.05 26.03 31.38 122.09 -169.26 -120.78 132.76 1.76 98.24 0.00 1.63 0.05 0.00 0.00 0.00 0.00 98.26 0.06 55 I E E 40.21 20.42 12.79 32.72 110.36 -128.43 -83.23 120.49 0.67 99.33 0.00 0.64 0.01 0.00 0.00 0.00 0.00 99.32 0.02 56 Q E E 98.27 4.38 18.91 24.31 100.60 176.22 -93.33 -35.11 2.60 97.39 0.00 1.84 0.40 0.02 0.00 0.00 0.00 97.73 0.01 57 E E E 96.48 3.31 22.37 25.96 138.45 -1.61 -154.99 153.29 1.33 98.66 0.00 1.02 0.12 0.01 0.00 0.00 0.00 98.85 0.01 58 I E E 54.44 21.08 10.67 30.08 124.54 -161.01 -129.30 130.38 1.03 98.97 0.00 0.96 0.03 0.00 0.00 0.00 0.00 99.00 0.01 59 K E E 107.11 3.69 22.34 26.49 128.03 -174.75 -130.42 144.73 0.74 99.26 0.00 0.71 0.02 0.00 0.00 0.00 0.00 99.26 0.01 60 E E E 102.51 11.21 14.87 26.75 116.12 -129.29 -87.02 132.62 2.53 97.47 0.00 2.50 0.07 0.00 0.00 0.00 0.00 97.33 0.09 61 V C C 32.86 13.34 11.98 26.55 127.87 -174.69 -123.90 149.14 55.50 44.49 0.01 54.49 0.68 0.02 0.00 0.01 0.00 44.40 0.39 62 K C C 123.71 2.10 20.24 21.11 116.20 -106.75 -75.06 148.64 96.80 3.17 0.04 96.63 0.56 0.04 0.01 0.02 0.00 2.64 0.11 63 E H G 86.79 14.30 9.91 23.77 91.82 -113.51 -58.01 -34.91 8.81 0.08 91.11 1.05 0.92 5.51 1.41 91.05 0.00 0.06 0.00 64 D H G 124.44 0.88 16.29 16.04 90.97 60.83 -70.94 -16.29 8.30 0.05 91.65 0.52 0.66 5.86 1.28 91.64 0.00 0.03 0.00 65 E H G 112.40 4.16 14.73 20.08 94.48 58.54 -88.58 -7.24 9.31 0.10 90.59 1.39 1.18 5.19 1.37 90.80 0.00 0.07 0.01 66 I C C 23.39 19.83 6.50 24.41 115.62 92.97 -90.59 127.11 94.69 1.35 3.97 84.86 8.32 1.42 2.15 1.53 0.00 0.42 1.31 67 T C C 107.94 1.46 18.00 18.97 100.43 -172.70 -101.21 -15.17 98.20 0.74 1.06 76.76 19.85 1.45 0.66 0.36 0.00 0.22 0.71 68 D C C 59.49 8.35 11.58 21.79 111.64 92.32 -86.95 120.47 98.61 0.52 0.87 65.26 32.48 0.79 0.73 0.15 0.00 0.11 0.49 69 K H H 132.96 3.38 13.73 18.90 92.91 -152.84 -63.05 -33.49 9.50 0.04 90.46 1.32 2.12 6.38 88.43 1.69 0.02 0.01 0.02 70 T H H 77.91 3.26 15.65 19.73 92.18 56.17 -64.60 -39.45 6.83 0.06 93.11 0.71 0.86 5.54 90.37 2.43 0.04 0.03 0.02 71 I H H 34.61 13.80 11.78 26.30 93.14 48.24 -67.51 -39.83 3.79 0.12 96.10 0.69 0.42 2.76 92.18 3.81 0.02 0.10 0.02 72 R H H 107.31 9.05 13.37 23.44 91.85 53.73 -64.06 -39.40 3.24 0.05 96.71 0.59 0.33 2.21 92.37 4.45 0.01 0.04 0.01 73 D H H 111.06 1.50 16.22 17.45 92.56 52.32 -68.21 -29.35 21.90 0.08 78.02 1.30 1.09 18.84 74.03 4.62 0.02 0.04 0.05 74 L H H 86.44 7.35 13.60 22.04 95.49 52.90 -81.46 -18.69 38.94 0.10 60.96 6.38 0.85 29.80 60.68 2.18 0.01 0.04 0.07 75 A C C 33.85 16.37 12.05 27.46 103.50 80.80 -78.16 39.04 99.81 0.10 0.09 99.63 0.12 0.10 0.08 0.00 0.00 0.04 0.02