# 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 70.10 11.77 18.84 30.73 122.21 -163.37 -108.69 136.02 99.86 0.14 0.00 99.86 0.05 0.00 0.00 0.00 0.00 0.08 0.00 1 A C C 26.74 14.15 17.00 31.86 119.63 -147.74 -100.91 136.96 61.10 38.87 0.02 61.15 0.29 0.04 0.00 0.01 0.00 38.05 0.45 2 V E E 31.01 13.99 20.10 34.96 121.60 -161.55 -114.83 132.20 9.20 90.79 0.01 7.79 0.84 0.03 0.00 0.00 0.00 91.18 0.16 3 F E E 19.96 19.97 19.58 39.56 123.72 -162.42 -113.41 138.93 0.86 99.14 0.00 0.74 0.04 0.00 0.00 0.00 0.00 99.20 0.01 4 K E E 42.93 13.29 24.87 38.51 120.49 -155.48 -111.67 131.42 0.23 99.77 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 5 V E E 5.98 23.84 19.88 44.04 120.00 -161.65 -113.85 127.65 0.26 99.74 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.77 0.00 6 F E E 38.73 13.21 25.40 39.22 119.90 -164.13 -111.86 130.78 0.35 99.65 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.68 0.00 7 Y E E 30.59 19.45 19.41 38.56 125.64 -165.71 -117.34 139.79 2.88 97.12 0.00 2.55 0.13 0.01 0.00 0.00 0.00 97.19 0.12 8 Q E E 26.42 14.86 17.33 33.35 121.46 -154.48 -112.79 139.12 34.27 65.69 0.04 32.16 1.49 0.10 0.01 0.03 0.00 65.42 0.79 9 H C S 109.20 6.69 17.82 25.58 95.66 -154.43 -78.16 -25.85 94.04 5.89 0.08 34.06 58.78 1.23 0.01 0.08 0.00 5.50 0.35 10 N C C 75.38 4.15 16.86 21.85 123.70 38.84 -125.19 140.65 96.14 3.24 0.62 66.48 27.82 1.85 0.14 0.54 0.00 1.68 1.49 11 R C T 150.88 7.14 11.01 19.89 93.57 -133.89 -68.47 -16.93 97.54 0.68 1.78 5.36 24.53 67.41 0.13 1.91 0.00 0.41 0.24 12 D C T 126.14 0.69 14.69 13.77 96.16 60.94 -86.91 -3.17 97.04 1.23 1.73 8.23 22.23 66.28 0.13 1.96 0.00 0.83 0.34 13 E C C 79.26 8.47 8.67 18.74 116.25 100.18 -82.07 139.24 95.40 2.37 2.23 55.92 36.62 2.59 0.53 1.65 0.00 0.86 1.82 14 V C C 105.25 2.76 13.08 17.19 115.94 -129.20 -90.79 136.50 97.98 1.43 0.59 78.49 18.04 1.36 0.26 0.29 0.00 0.66 0.90 15 I C C 85.00 10.78 9.09 20.37 110.76 -110.57 -75.17 131.11 96.33 2.41 1.26 68.98 24.48 2.73 0.51 0.68 0.00 1.06 1.55 16 V C C 84.34 3.64 13.38 18.34 121.70 -167.96 -112.14 150.38 86.14 6.60 7.25 53.21 26.68 5.25 2.84 4.13 0.01 2.29 5.59 17 R C T 164.59 3.89 11.90 17.11 94.84 -96.74 -63.90 -31.09 63.54 1.57 34.89 8.84 16.25 37.62 2.25 33.47 0.01 0.94 0.62 18 E C T 127.13 3.61 13.81 18.16 97.66 55.21 -81.22 -8.94 61.81 2.59 35.59 10.49 12.59 37.90 2.01 34.54 0.01 1.85 0.61 19 N C C 71.66 8.02 14.69 24.00 103.26 66.15 -97.17 21.55 56.46 9.28 34.26 34.22 11.07 11.54 2.73 31.68 0.01 7.63 1.12 20 T C C 32.21 16.74 12.12 28.80 121.66 112.73 -104.00 140.49 56.84 42.69 0.47 49.44 5.47 0.74 0.14 0.32 0.00 42.40 1.48 21 Q E E 72.71 9.55 20.54 30.63 120.11 -155.37 -107.26 136.33 17.04 82.81 0.14 13.70 3.17 0.33 0.04 0.08 0.00 82.16 0.51 22 S E E 36.65 15.83 17.40 32.97 128.23 -159.63 -125.46 142.57 4.88 95.10 0.02 4.29 0.37 0.03 0.00 0.01 0.00 95.22 0.08 23 L E E 33.30 15.07 18.86 34.68 124.45 -167.47 -123.14 135.44 1.26 98.74 0.00 1.14 0.06 0.00 0.00 0.00 0.00 98.79 0.01 24 Y E E 89.73 11.92 21.23 33.45 120.00 -155.71 -107.87 129.77 0.56 99.44 0.00 0.53 0.02 0.00 0.00 0.00 0.00 99.45 0.01 25 V E E 17.68 19.05 17.67 36.95 126.62 -173.05 -125.43 138.95 0.30 99.70 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.69 0.01 26 E E E 90.10 7.89 23.52 31.94 116.67 -146.28 -100.60 127.72 1.50 98.49 0.01 1.36 0.07 0.01 0.00 0.00 0.00 98.48 0.08 27 A E E 11.87 17.47 12.97 31.21 135.22 165.00 -139.22 159.07 33.06 66.84 0.10 31.92 0.87 0.10 0.04 0.05 0.00 66.21 0.80 28 Q C S 131.60 2.62 19.86 22.77 94.58 -134.14 -80.35 -23.75 99.28 0.70 0.02 6.19 92.95 0.29 0.00 0.01 0.00 0.53 0.03 29 T C S 57.02 3.33 22.75 25.66 139.53 9.78 -149.55 162.64 97.98 1.66 0.35 21.45 76.64 0.36 0.26 0.06 0.00 0.57 0.67 30 E H H 67.92 16.44 13.22 29.30 91.16 -107.18 -59.82 -37.19 5.49 0.06 94.45 0.92 0.95 3.16 88.07 6.84 0.01 0.04 0.01 31 E H H 118.02 2.41 20.61 22.67 91.50 55.31 -63.25 -40.69 4.02 0.11 95.86 0.77 0.46 2.44 89.80 6.41 0.02 0.10 0.02 32 Q H H 65.13 5.34 19.21 25.68 91.59 49.84 -65.27 -40.10 2.06 0.10 97.84 0.62 0.25 1.08 91.17 6.78 0.01 0.09 0.01 33 V H H 3.70 23.69 12.84 36.99 91.47 51.17 -62.98 -43.67 1.60 0.14 98.25 0.56 0.18 0.80 94.03 4.28 0.00 0.13 0.01 34 R H H 83.68 13.51 18.05 31.31 91.55 51.75 -62.92 -40.52 2.26 0.10 97.64 0.48 0.18 1.41 90.71 7.10 0.01 0.10 0.01 35 R H H 150.84 1.42 22.06 21.43 91.71 50.74 -64.56 -39.98 4.40 0.08 95.53 0.39 0.26 3.46 86.21 9.58 0.02 0.07 0.01 36 Y H H 84.75 10.23 17.55 28.52 92.51 48.21 -70.38 -32.99 10.25 0.07 89.68 0.51 0.53 9.30 83.56 6.00 0.04 0.05 0.02 37 L H H 9.85 21.99 10.76 32.61 97.63 44.50 -97.35 -4.73 40.45 1.22 58.33 7.95 3.88 28.28 53.92 4.60 0.10 0.56 0.72 38 K C T 123.51 6.50 13.71 22.22 92.53 99.14 -61.11 -32.67 84.89 0.60 14.51 8.98 4.97 70.53 11.90 3.02 0.00 0.29 0.31 39 D C T 128.15 0.70 15.96 14.81 95.27 48.25 -87.93 3.29 88.74 0.30 10.96 5.85 8.90 73.99 6.91 4.01 0.00 0.16 0.19 40 R C S 83.14 12.58 9.62 22.37 123.44 90.17 -105.15 153.28 95.25 0.66 4.09 21.98 60.98 12.81 1.35 2.15 0.00 0.27 0.46 41 N C S 134.14 1.05 18.27 18.01 101.22 -120.72 -79.29 51.82 97.98 1.42 0.60 37.91 40.39 19.69 0.08 0.64 0.00 1.03 0.26 42 F C C 52.30 16.58 10.27 26.47 128.11 113.98 -116.10 152.26 77.52 21.89 0.59 45.15 29.32 3.76 0.09 0.61 0.00 19.11 1.96 43 N E E 83.04 5.28 21.38 27.02 110.75 -125.40 -91.66 115.65 47.08 52.46 0.47 38.12 6.85 1.68 0.07 0.45 0.00 51.81 1.02 44 I E E 43.01 19.93 12.24 31.36 114.04 -157.61 -98.29 121.06 10.39 89.57 0.04 10.13 0.34 0.03 0.01 0.02 0.00 89.14 0.33 45 E E E 93.30 6.41 19.25 26.58 102.63 176.80 -95.43 -36.27 8.84 91.14 0.03 6.09 2.25 0.11 0.00 0.02 0.00 91.49 0.05 46 F E E 101.65 6.05 21.75 28.35 132.45 0.74 -146.52 141.38 1.61 98.37 0.02 1.25 0.16 0.02 0.00 0.00 0.00 98.55 0.01 47 I E E 39.26 21.53 12.43 33.01 121.76 -164.11 -120.52 127.75 0.59 99.41 0.00 0.56 0.01 0.00 0.00 0.00 0.00 99.42 0.01 48 T E E 60.65 6.45 22.09 29.23 127.24 -174.96 -128.17 143.04 0.40 99.60 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.62 0.01 49 K E E 109.66 9.36 18.56 28.60 114.04 -109.25 -71.75 138.05 2.51 97.49 0.00 2.36 0.08 0.00 0.00 0.00 0.00 97.48 0.08 50 L C C 31.47 19.33 9.65 28.30 114.46 -124.76 -84.61 132.53 77.13 22.79 0.08 75.51 1.13 0.08 0.02 0.03 0.00 22.78 0.45 51 E C C 128.69 2.20 17.50 20.15 125.41 -166.17 -120.30 156.82 96.55 2.74 0.71 94.56 2.17 0.29 0.54 0.11 0.00 1.92 0.42 52 G H H 47.63 2.49 16.42 19.30 112.37 -17.14 65.66 -133.61 7.49 0.03 92.48 1.29 1.54 4.70 90.52 1.92 0.01 0.01 0.01 53 A H H 73.75 2.25 16.29 18.44 93.51 14.33 -66.27 -34.75 2.68 0.01 97.31 0.33 0.28 1.95 95.58 1.85 0.01 0.00 0.00 54 H H H 58.60 10.55 14.43 26.30 91.96 56.31 -64.12 -40.32 0.79 0.00 99.21 0.16 0.08 0.48 97.64 1.64 0.00 0.00 0.00 55 L H H 32.79 14.02 13.65 28.56 91.74 51.37 -63.75 -40.93 0.33 0.00 99.67 0.08 0.03 0.17 99.46 0.26 0.00 0.00 0.00 56 D H H 81.69 2.25 19.64 21.07 91.66 51.67 -63.54 -41.32 0.43 0.00 99.57 0.09 0.03 0.24 99.53 0.11 0.00 0.00 0.00 57 Y H H 96.40 3.85 17.71 22.31 91.80 50.26 -64.28 -41.72 0.52 0.00 99.47 0.09 0.04 0.32 99.40 0.15 0.00 0.00 0.00 58 E H H 31.52 13.92 12.60 27.52 92.20 50.74 -64.87 -40.05 0.92 0.00 99.08 0.14 0.06 0.59 98.97 0.23 0.00 0.00 0.00 59 K H H 99.99 7.69 14.01 22.92 92.09 52.28 -65.77 -36.28 4.04 0.02 95.94 0.47 0.30 3.01 95.63 0.57 0.00 0.00 0.01 60 E H H 142.60 1.21 15.82 16.14 92.60 52.36 -70.12 -30.01 14.81 0.04 85.15 0.86 0.96 12.53 84.91 0.69 0.02 0.01 0.02 61 N H H 106.78 3.02 13.37 17.44 100.15 37.35 -99.97 -8.52 40.20 0.20 59.60 3.76 5.45 30.03 59.54 0.99 0.04 0.06 0.13 62 S C C 34.42 12.40 8.14 20.81 126.72 68.85 -126.00 144.93 96.25 1.24 2.51 76.07 15.46 4.56 1.48 1.04 0.00 0.51 0.87 63 E C T 163.95 0.79 15.59 15.27 93.99 -145.38 -71.90 -18.30 96.93 0.34 2.72 3.28 31.66 62.16 0.32 2.26 0.00 0.21 0.12 64 H C T 102.30 7.05 13.02 21.40 97.46 52.15 -94.72 -1.68 95.58 2.14 2.28 6.81 25.62 63.23 0.21 2.09 0.00 1.81 0.23 65 F E E 44.70 18.33 9.17 26.55 125.97 76.70 -118.22 141.29 39.69 59.42 0.89 33.75 4.67 1.01 0.23 0.74 0.00 57.44 2.15 66 N E E 90.02 3.51 20.91 25.15 128.37 -175.30 -130.41 147.93 22.98 76.72 0.29 21.56 0.76 0.19 0.12 0.13 0.00 76.55 0.67 67 V E E 68.24 14.80 12.26 26.83 120.60 -140.02 -107.28 132.06 20.94 78.77 0.30 19.39 0.89 0.18 0.13 0.11 0.00 78.93 0.37 68 E E E 95.13 6.06 14.83 22.55 124.03 -169.38 -119.84 140.74 22.35 77.26 0.40 19.74 1.55 0.34 0.16 0.16 0.00 77.67 0.38 69 I E E 113.59 5.00 12.08 19.26 117.80 -143.68 -103.50 130.27 22.98 76.58 0.44 20.59 1.45 0.46 0.21 0.19 0.00 76.09 1.03 70 A C C 55.04 8.82 8.04 17.99 117.52 -147.22 -93.80 140.54 62.38 37.41 0.20 61.74 0.38 0.27 0.07 0.07 0.00 36.72 0.74 71 K C C 162.67 1.44 13.90 15.78 109.85 -135.34 -88.06 121.67 99.62 0.38 0.00 99.62 0.05 0.01 0.00 0.00 0.00 0.31 0.01