# 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 77.90 10.26 21.19 31.28 112.97 -153.84 -92.65 125.58 99.73 0.26 0.00 99.74 0.06 0.01 0.00 0.00 0.00 0.19 0.01 1 V E E 17.02 21.24 14.89 35.72 123.07 -157.82 -114.19 136.19 17.38 82.61 0.01 17.76 0.19 0.02 0.00 0.00 0.00 81.62 0.41 2 T E E 40.04 9.53 23.96 34.31 121.40 -162.41 -114.96 133.78 3.93 96.07 0.00 3.46 0.23 0.01 0.00 0.00 0.00 96.23 0.06 3 I E E 13.24 23.59 17.16 40.74 119.52 -159.83 -109.40 128.85 0.96 99.04 0.00 0.86 0.03 0.00 0.00 0.00 0.00 99.10 0.01 4 R E E 78.56 9.88 25.50 35.61 123.95 -171.76 -120.35 135.05 0.58 99.42 0.00 0.51 0.02 0.00 0.00 0.00 0.00 99.46 0.01 5 L E E 22.72 21.89 17.70 39.06 120.45 -154.94 -105.38 133.18 0.76 99.24 0.00 0.68 0.02 0.00 0.00 0.00 0.00 99.29 0.01 6 A E E 28.38 11.15 22.20 34.12 131.38 -175.61 -129.92 149.45 0.71 99.29 0.00 0.64 0.03 0.00 0.00 0.00 0.00 99.32 0.01 7 R E E 105.81 12.98 17.41 30.22 116.14 -124.30 -90.41 133.52 2.06 97.93 0.01 1.88 0.08 0.01 0.00 0.00 0.00 97.97 0.07 8 H E E 75.48 9.67 16.35 27.09 131.67 171.74 -131.35 155.64 17.36 82.60 0.04 15.21 1.42 0.13 0.01 0.02 0.00 82.90 0.31 9 G E E 35.85 4.60 15.33 21.49 130.91 34.32 119.54 -173.05 46.28 53.62 0.10 33.39 12.06 0.92 0.01 0.11 0.00 52.69 0.81 10 A C C 64.40 4.67 12.56 18.84 123.16 -60.97 -112.62 155.57 68.19 31.40 0.41 52.36 14.41 1.78 0.09 0.40 0.00 27.54 3.42 11 K C S 160.31 1.98 11.54 14.75 102.39 -70.80 -64.97 62.80 98.16 0.82 1.02 3.44 52.71 42.16 0.04 0.96 0.00 0.52 0.18 12 K C S 175.93 0.77 13.56 13.45 96.61 8.06 -65.44 -2.21 98.34 0.57 1.09 3.63 52.08 42.64 0.04 1.11 0.00 0.38 0.12 13 R C S 120.27 5.37 13.20 20.13 114.59 50.45 -122.24 100.72 70.18 29.50 0.32 21.58 47.29 2.17 0.03 0.33 0.00 26.96 1.63 14 P C C 43.32 11.98 14.04 27.35 114.77 -142.77 -70.60 142.02 57.88 42.08 0.04 53.54 1.79 0.18 0.00 0.03 0.00 44.14 0.30 15 F E E 42.27 12.94 19.08 33.19 131.01 -173.87 -128.50 149.66 4.38 95.62 0.00 3.76 0.30 0.01 0.00 0.00 0.00 95.81 0.11 16 Y E E 34.54 18.51 19.29 37.57 127.30 -156.13 -120.34 143.60 0.38 99.62 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.00 17 Q E E 32.48 15.41 24.38 39.70 130.09 -169.91 -127.02 145.62 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 18 V E E 8.17 22.62 21.94 44.54 118.25 -146.82 -107.11 128.94 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 19 V E E 11.41 18.70 25.12 43.67 127.40 -170.73 -122.97 142.10 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 20 V E E 12.55 20.16 24.22 44.11 118.71 -151.74 -107.13 128.64 0.29 99.71 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.01 21 A E E 9.31 17.31 19.94 37.92 134.33 173.39 -133.67 156.73 3.39 96.60 0.01 3.08 0.13 0.01 0.00 0.00 0.00 96.66 0.12 22 D E E 36.01 10.19 19.06 30.63 113.82 -103.62 -72.49 142.76 27.23 72.54 0.23 25.08 1.98 0.24 0.08 0.14 0.00 71.58 0.91 23 S C T 59.79 9.79 14.93 25.72 91.86 -121.85 -63.53 -28.36 71.96 0.86 27.18 2.29 14.54 56.00 3.15 22.99 0.04 0.54 0.46 24 R C T 176.82 1.15 17.19 17.19 93.33 58.97 -75.39 -21.57 70.04 0.67 29.29 2.30 13.98 53.98 3.27 25.62 0.04 0.39 0.42 25 N C S 59.06 8.67 11.69 21.82 107.88 39.80 -117.25 64.81 65.21 6.69 28.10 25.53 25.89 14.93 4.71 22.28 0.04 3.11 3.50 26 A C C 47.50 12.46 10.64 23.50 94.64 156.67 -62.90 -32.24 72.43 3.31 24.27 42.32 7.39 22.52 5.07 19.27 0.01 1.80 1.62 27 R C T 164.55 2.87 15.34 19.10 93.50 54.86 -69.58 -28.94 72.87 0.91 26.22 4.21 8.75 58.70 3.03 24.19 0.02 0.52 0.59 28 N C T 110.03 2.54 16.97 19.58 97.59 34.65 -97.65 -0.13 74.29 0.56 25.14 2.97 9.06 61.53 2.62 23.12 0.01 0.32 0.38 29 G C C 24.42 14.62 12.62 26.95 98.96 -112.37 78.81 8.35 91.23 2.66 6.11 41.79 33.27 15.90 0.81 5.78 0.00 1.53 0.92 30 R C C 118.84 5.49 20.61 26.88 115.28 147.61 -85.14 133.76 87.19 12.04 0.77 75.23 10.01 1.72 0.21 0.65 0.00 10.07 2.12 31 F E E 70.41 17.16 14.29 30.71 113.31 -126.36 -80.32 127.61 35.64 64.18 0.18 33.79 1.31 0.18 0.07 0.12 0.00 60.88 3.65 32 I E E 67.09 11.17 19.08 30.74 100.85 176.40 -94.09 -33.01 29.48 70.28 0.24 15.08 13.80 0.48 0.02 0.15 0.00 70.28 0.19 33 E E E 75.31 8.52 22.37 31.33 139.34 -3.36 -151.74 150.42 2.26 97.64 0.10 1.83 0.31 0.04 0.01 0.06 0.00 97.71 0.03 34 R E E 111.90 13.31 19.17 31.98 111.58 -126.39 -84.36 122.76 0.94 99.03 0.04 1.03 0.03 0.01 0.01 0.02 0.00 98.86 0.04 35 V E E 17.94 19.25 18.56 38.04 101.12 175.93 -100.55 -25.03 2.63 97.36 0.01 2.07 0.45 0.04 0.00 0.01 0.00 97.39 0.03 36 G E E 7.46 13.62 22.40 37.06 144.71 -41.98 162.27 176.42 2.26 97.73 0.01 1.65 0.45 0.06 0.00 0.01 0.00 97.81 0.03 37 F E E 62.63 14.19 22.51 36.76 133.65 -97.23 -137.70 150.70 2.91 97.08 0.01 2.71 0.17 0.02 0.00 0.01 0.00 96.91 0.17 38 F E E 35.96 18.27 18.44 36.82 118.53 -136.62 -106.23 131.36 12.90 87.05 0.05 11.35 1.30 0.09 0.03 0.03 0.00 84.69 2.51 39 N C C 38.54 11.17 18.78 31.36 111.98 -164.81 -117.42 105.83 87.47 12.25 0.28 83.82 3.11 0.32 0.12 0.15 0.00 11.87 0.61 40 P C T 53.59 10.74 15.45 27.66 94.28 -165.74 -66.98 -23.40 74.75 3.21 22.04 19.82 17.01 38.82 7.24 13.94 0.02 2.14 1.01 41 I C T 101.26 4.85 15.57 21.23 98.75 55.55 -86.37 -15.09 71.72 2.53 25.74 14.40 20.07 37.82 9.13 15.62 0.09 1.27 1.61 42 A C C 54.21 8.07 10.71 20.06 103.65 77.94 -77.39 37.02 69.26 2.28 28.45 28.39 21.03 20.92 8.86 18.23 0.02 1.02 1.51 43 S C T 72.84 4.17 12.02 17.55 104.11 66.62 -84.68 19.11 77.41 1.04 21.55 26.81 19.76 31.64 8.43 12.10 0.01 0.44 0.81 44 E C T 136.80 3.23 11.66 16.37 101.23 38.25 -79.17 5.49 78.36 1.03 20.62 25.21 22.38 31.65 7.43 12.08 0.01 0.42 0.82 45 K C C 126.36 4.55 11.43 17.57 106.43 89.00 -87.30 56.77 69.84 1.65 28.51 32.58 18.87 18.95 8.67 19.11 0.01 0.73 1.09 46 E C C 121.54 5.61 12.43 19.40 102.36 59.06 -76.32 -6.02 64.89 2.24 32.87 26.73 17.23 22.37 8.06 23.38 0.01 1.13 1.09 47 E C C 117.51 5.60 14.61 21.50 105.75 61.48 -86.87 41.90 65.89 4.09 30.02 35.49 12.78 18.83 6.43 22.68 0.01 2.57 1.20 48 G C C 28.20 10.43 16.24 27.27 111.72 37.85 55.19 -4.85 78.68 9.72 11.61 48.35 21.06 9.97 2.88 8.55 0.00 7.52 1.67 49 T C E 32.55 17.92 14.55 31.94 121.38 -107.89 -108.99 135.40 49.95 47.52 2.53 42.06 5.64 1.93 1.11 1.53 0.00 44.74 2.98 50 R E E 123.18 7.31 22.22 30.73 124.15 -167.36 -119.33 136.63 19.85 79.71 0.44 17.29 1.61 0.28 0.34 0.19 0.00 71.87 8.41 51 L E E 25.69 22.05 12.96 34.35 119.29 -145.07 -99.80 134.71 31.29 68.53 0.18 29.94 1.11 0.10 0.14 0.07 0.00 61.78 6.87 52 D C C 66.69 6.43 20.89 28.17 105.71 -131.53 -86.71 104.74 83.84 15.96 0.20 84.02 0.62 0.07 0.13 0.04 0.00 14.53 0.60 53 L H H 64.08 14.70 13.62 28.53 93.74 -169.11 -64.74 -35.44 1.65 0.00 98.34 0.54 0.16 0.70 98.23 0.36 0.00 0.00 0.00 54 D H H 108.80 1.30 20.46 20.31 91.44 55.52 -63.42 -40.29 0.45 0.00 99.55 0.05 0.03 0.29 99.29 0.34 0.00 0.00 0.00 55 R H H 89.11 8.72 18.55 28.07 92.09 49.08 -66.09 -40.36 0.19 0.00 99.81 0.03 0.01 0.11 99.53 0.32 0.00 0.00 0.00 56 I H H 7.81 23.15 13.47 36.59 91.64 51.04 -63.45 -42.99 0.12 0.00 99.88 0.01 0.00 0.06 99.85 0.07 0.00 0.00 0.00 57 A H H 49.47 6.85 20.04 27.60 91.34 51.59 -62.58 -41.63 0.18 0.00 99.82 0.02 0.00 0.11 99.81 0.05 0.00 0.00 0.00 58 H H H 109.11 2.21 21.66 22.59 91.95 50.01 -64.47 -42.01 0.37 0.00 99.62 0.02 0.01 0.29 99.58 0.10 0.00 0.00 0.00 59 W H H 35.76 15.22 15.81 31.73 92.11 49.19 -64.97 -42.55 0.82 0.00 99.18 0.08 0.05 0.58 99.01 0.28 0.00 0.00 0.00 60 V H H 41.06 15.79 14.24 29.86 92.07 49.47 -64.69 -39.79 1.79 0.01 98.20 0.13 0.10 1.46 97.66 0.64 0.00 0.00 0.00 61 G H H 57.50 1.80 17.20 19.10 90.68 56.82 -67.28 -23.24 12.93 0.03 87.04 0.38 0.52 12.29 85.93 0.84 0.02 0.01 0.01 62 Q C T 118.75 3.09 15.11 19.10 94.15 55.91 -87.88 0.01 81.43 0.04 18.54 0.35 1.53 78.94 18.36 0.77 0.00 0.01 0.03 63 G C T 53.12 2.44 17.94 20.38 99.76 -96.10 92.12 7.36 93.74 0.03 6.22 1.91 1.93 89.35 6.57 0.21 0.00 0.01 0.02 64 A C C 23.47 18.34 9.30 26.97 117.40 155.43 -72.98 145.42 98.27 1.55 0.18 96.27 1.83 0.38 0.07 0.06 0.00 1.05 0.34 65 T C C 99.63 2.33 22.76 24.83 116.04 -133.11 -96.97 129.38 82.51 17.35 0.14 80.63 2.47 0.34 0.06 0.07 0.00 13.07 3.36 66 I C C 45.70 21.26 10.57 30.17 120.09 -149.54 -99.33 138.15 77.39 22.53 0.07 77.07 1.69 0.06 0.05 0.03 0.00 14.69 6.41 67 S C C 41.14 6.88 16.18 24.52 121.79 -123.03 -76.01 164.31 96.94 2.98 0.08 97.17 0.51 0.03 0.05 0.01 0.00 1.67 0.55 68 D H H 121.00 1.44 16.38 18.01 91.08 -103.75 -60.06 -35.42 1.08 0.00 98.92 0.14 0.14 0.61 98.96 0.15 0.00 0.00 0.00 69 R H H 132.54 3.97 18.28 23.01 91.80 53.39 -64.36 -40.77 0.44 0.00 99.56 0.04 0.03 0.28 99.52 0.13 0.00 0.00 0.00 70 V H H 12.62 20.56 14.43 34.89 91.99 47.84 -65.29 -42.08 0.12 0.00 99.88 0.01 0.00 0.07 99.84 0.08 0.00 0.00 0.00 71 A H H 31.25 10.59 17.86 29.69 91.29 52.17 -62.27 -42.21 0.04 0.00 99.95 0.00 0.00 0.02 99.95 0.02 0.00 0.00 0.00 72 A H H 56.04 2.27 22.63 23.44 91.24 50.44 -63.85 -41.88 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 73 L H H 33.89 12.20 19.23 32.43 92.06 50.19 -64.20 -42.57 0.16 0.00 99.84 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 74 I H H 17.36 19.41 16.53 35.97 91.79 49.73 -63.78 -42.29 0.33 0.00 99.67 0.05 0.02 0.20 99.69 0.05 0.00 0.00 0.00 75 K H H 114.02 3.83 20.91 25.10 91.60 50.55 -63.39 -41.51 0.88 0.00 99.12 0.17 0.06 0.51 99.15 0.12 0.00 0.00 0.00 76 E H H 103.87 2.66 19.99 22.18 92.05 49.38 -65.19 -40.73 1.85 0.01 98.14 0.36 0.15 1.13 98.07 0.29 0.00 0.00 0.00 77 V H H 31.20 12.70 13.84 27.78 92.36 50.38 -65.66 -39.97 3.64 0.01 96.35 0.82 0.37 2.15 96.01 0.64 0.00 0.00 0.00 78 N H H 79.67 8.16 14.27 23.46 92.43 53.12 -66.09 -35.24 10.70 0.04 89.25 2.23 1.04 6.87 88.67 1.14 0.01 0.02 0.02 79 K H H 150.37 1.37 14.65 15.86 93.19 52.65 -69.98 -29.39 24.80 0.17 75.03 5.50 2.84 15.98 73.99 1.51 0.02 0.06 0.10 80 A H H 74.49 3.10 11.44 15.83 96.91 57.46 -76.94 -19.62 49.78 0.31 49.91 24.46 1.46 21.62 51.02 1.15 0.00 0.10 0.19 81 A C C 63.11 7.40 11.08 19.63 101.96 72.74 -78.55 -4.54 99.91 0.02 0.07 99.75 0.07 0.11 0.05 0.00 0.00 0.01 0.00