# 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 121.80 5.12 11.58 18.13 109.02 -138.33 -86.58 104.44 99.94 0.05 0.01 99.84 0.09 0.04 0.01 0.00 0.00 0.02 0.00 1 Q C C 121.27 3.97 10.32 16.12 115.77 -158.31 -92.92 133.65 95.11 4.22 0.67 93.81 0.65 1.40 0.23 0.24 0.00 2.37 1.29 2 T C C 95.56 3.43 10.92 16.19 117.21 -147.43 -96.58 136.24 89.43 9.81 0.76 75.99 11.22 1.97 0.28 0.51 0.00 4.93 5.10 3 L C C 68.24 10.37 8.25 19.49 115.04 -116.43 -84.38 135.31 96.87 2.87 0.27 80.84 15.68 0.58 0.10 0.15 0.00 1.76 0.88 4 P C C 69.75 5.53 11.11 18.51 112.58 -106.80 -65.82 152.38 93.72 1.39 4.90 78.49 6.48 8.23 0.88 4.55 0.00 0.82 0.56 5 K C T 169.43 1.27 11.53 13.50 95.62 -106.68 -68.06 -20.16 86.80 1.09 12.11 20.85 26.68 38.95 1.49 10.93 0.00 0.56 0.54 6 E C T 133.42 2.56 11.60 15.31 103.18 58.09 -89.73 23.17 82.49 3.01 14.50 28.56 20.12 34.06 1.99 12.52 0.00 1.73 1.02 7 R C C 118.85 8.91 10.17 20.19 113.67 117.36 -87.90 130.38 84.43 6.94 8.62 63.80 14.10 6.15 2.12 7.07 0.00 4.82 1.95 8 R C C 135.25 5.42 14.81 22.00 121.30 -162.68 -113.39 139.13 77.07 20.14 2.78 68.22 5.41 2.47 1.33 1.57 0.00 14.73 6.27 9 Y C C 101.30 12.75 12.83 25.82 122.88 -157.85 -113.73 139.09 69.70 28.30 2.00 60.54 5.97 1.69 1.12 1.04 0.00 22.03 7.62 10 E C C 86.22 9.65 16.23 26.65 120.35 -146.53 -98.92 144.44 76.73 20.08 3.19 60.12 12.95 3.42 1.46 1.85 0.00 16.66 3.54 11 T C C 54.99 10.04 17.76 28.55 122.31 -136.48 -108.82 145.19 81.86 12.08 6.07 67.30 10.05 3.78 2.03 4.33 0.00 8.32 4.18 12 L H G 41.97 18.54 12.58 30.52 95.55 -137.69 -75.39 -11.10 35.01 2.25 62.74 17.44 5.59 9.82 2.00 63.32 0.00 1.53 0.29 13 S H G 66.72 6.65 16.47 24.54 92.27 82.84 -67.22 -18.31 32.78 1.08 66.14 4.68 5.30 20.82 1.50 66.83 0.00 0.70 0.17 14 Y H G 146.09 4.38 16.81 22.23 96.02 54.79 -95.32 1.73 34.79 1.03 64.18 6.25 6.56 19.84 1.25 65.30 0.00 0.62 0.19 15 L C S 38.12 17.76 9.17 26.34 118.70 105.46 -83.50 141.47 98.07 1.54 0.39 31.72 65.85 0.64 0.11 0.18 0.00 0.50 0.99 16 P C C 75.52 4.49 17.84 23.04 116.67 -103.42 -65.73 152.42 99.12 0.54 0.34 74.51 19.88 4.73 0.06 0.32 0.00 0.29 0.23 17 P C C 100.26 4.69 15.90 22.47 111.71 -94.29 -65.58 140.72 98.58 0.97 0.45 76.02 16.99 5.51 0.10 0.37 0.00 0.49 0.51 18 L C C 38.01 17.67 9.59 26.50 121.23 -137.49 -99.77 144.86 88.49 11.18 0.32 81.29 5.52 0.29 0.19 0.11 0.00 2.41 10.19 19 T C C 71.14 2.45 20.42 21.66 122.11 -125.46 -81.87 163.48 98.21 1.40 0.38 96.50 1.86 0.17 0.27 0.06 0.00 0.52 0.62 20 D H H 82.81 10.55 12.85 24.05 91.70 -104.25 -58.26 -38.30 2.23 0.00 97.76 0.42 0.40 1.26 97.46 0.45 0.00 0.00 0.00 21 V H H 100.31 1.74 17.63 18.70 92.19 52.44 -64.63 -40.45 0.99 0.00 99.01 0.13 0.09 0.65 98.68 0.44 0.00 0.00 0.00 22 Q H H 79.41 5.21 17.94 24.10 92.00 49.49 -65.36 -40.07 0.59 0.00 99.41 0.13 0.06 0.34 98.93 0.54 0.00 0.00 0.00 23 I H H 11.02 20.76 14.12 35.02 91.83 50.92 -63.36 -43.36 0.21 0.00 99.79 0.05 0.02 0.11 99.74 0.08 0.00 0.00 0.00 24 E H H 63.73 12.09 19.11 31.52 91.38 51.25 -62.32 -41.89 0.10 0.00 99.90 0.02 0.00 0.05 99.90 0.02 0.00 0.00 0.00 25 K H H 119.66 1.95 24.11 24.33 91.61 50.12 -63.97 -41.55 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 26 Q H H 48.42 12.33 21.19 33.79 91.96 49.66 -64.65 -41.90 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 27 V H H 4.07 25.18 17.16 42.57 91.76 49.87 -63.65 -42.67 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 28 Q H H 83.90 7.84 22.18 30.36 91.22 51.88 -62.47 -41.25 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 29 Y H H 105.30 3.51 22.97 26.04 91.62 50.41 -63.96 -42.32 0.17 0.00 99.83 0.01 0.00 0.13 99.81 0.04 0.00 0.00 0.00 30 I H H 13.63 17.82 17.03 35.49 92.14 49.46 -64.33 -43.10 0.26 0.00 99.74 0.01 0.01 0.20 99.64 0.13 0.00 0.00 0.00 31 L H H 32.28 18.62 15.34 33.53 91.63 50.56 -63.98 -40.43 0.58 0.00 99.42 0.02 0.02 0.51 99.01 0.43 0.00 0.00 0.00 32 S H H 84.51 2.28 19.02 21.65 90.00 55.01 -65.94 -25.10 7.36 0.00 92.64 0.09 0.14 7.66 91.60 0.50 0.00 0.00 0.00 33 Q C T 105.45 4.81 17.20 23.01 93.12 55.02 -87.76 -0.21 85.93 0.02 14.06 0.19 0.76 84.96 13.58 0.49 0.00 0.00 0.02 34 G C T 38.39 5.98 19.61 26.51 99.21 -101.91 90.12 8.08 99.89 0.02 0.10 0.95 0.94 98.05 0.03 0.01 0.00 0.01 0.00 35 Y C C 39.69 18.46 15.13 33.49 119.15 143.83 -82.58 145.35 87.15 12.84 0.01 86.50 0.80 0.04 0.00 0.01 0.00 12.33 0.33 36 I E E 49.68 13.37 25.69 39.07 115.15 -141.48 -109.12 119.25 24.77 75.21 0.01 24.17 0.51 0.03 0.00 0.01 0.00 74.57 0.70 37 P E E 9.40 24.11 20.93 45.27 115.40 -133.25 -71.67 142.26 10.49 89.50 0.01 10.20 0.29 0.02 0.00 0.01 0.00 89.12 0.36 38 A E E 11.30 19.08 25.85 44.10 132.39 -173.61 -131.79 150.38 5.00 94.98 0.03 4.39 0.42 0.04 0.01 0.01 0.00 94.97 0.16 39 V E E 15.85 22.29 22.17 44.00 121.25 -147.52 -114.10 130.66 2.15 97.82 0.03 1.88 0.17 0.03 0.01 0.01 0.00 97.78 0.12 40 E E E 45.72 14.43 23.49 37.94 123.85 -167.94 -118.78 135.72 2.67 97.29 0.04 2.34 0.20 0.04 0.02 0.02 0.00 97.23 0.16 41 F E E 51.75 16.93 17.58 34.31 125.11 -167.36 -119.02 138.51 13.33 86.58 0.09 12.10 0.96 0.11 0.04 0.05 0.00 85.97 0.77 42 N C E 58.95 10.47 16.36 27.81 122.67 -166.47 -117.80 138.13 50.94 48.81 0.25 42.72 6.96 0.67 0.07 0.20 0.00 48.04 1.35 43 E C C 116.81 6.45 13.87 21.55 107.56 -145.45 -91.61 95.39 87.16 12.09 0.75 52.79 31.09 3.53 0.16 0.64 0.00 10.50 1.28 44 V C C 99.91 3.63 12.72 17.87 115.36 69.32 -95.17 131.99 95.56 3.26 1.17 49.89 33.75 12.10 0.20 1.10 0.00 2.11 0.84 45 S C C 71.53 5.52 9.87 17.10 112.10 -139.52 -87.93 135.01 96.86 2.01 1.13 52.12 33.67 11.06 0.18 1.10 0.00 1.02 0.86 46 E C C 120.33 3.70 10.92 16.23 115.44 -129.55 -99.98 125.59 97.10 2.19 0.71 63.16 31.47 2.41 0.22 0.48 0.00 0.89 1.37 47 P C C 88.72 5.39 9.61 16.69 104.36 -117.57 -68.40 91.93 87.88 1.05 11.07 44.53 13.62 29.75 2.61 8.44 0.00 0.57 0.49 48 T C T 96.28 3.40 11.72 16.37 101.79 75.21 -87.24 -1.55 81.86 2.02 16.12 28.99 19.16 34.40 4.62 10.85 0.00 1.02 0.95 49 E C C 114.84 5.24 12.50 19.14 111.12 67.36 -93.13 106.86 73.01 7.20 19.79 36.75 20.91 16.68 6.87 12.13 0.03 4.40 2.22 50 L C C 79.51 9.21 12.65 22.92 119.14 72.37 -105.05 131.48 68.52 16.68 14.80 51.57 10.10 6.59 8.18 7.08 0.03 13.02 3.44 51 Y C C 99.82 10.92 14.67 26.19 122.22 -163.84 -110.76 138.13 50.35 31.34 18.31 34.82 9.04 6.43 12.29 6.96 0.13 24.56 5.78 52 W C C 91.64 12.98 15.04 28.32 114.54 -153.19 -99.83 127.30 43.02 34.15 22.82 28.53 8.09 7.32 15.00 8.47 0.19 28.08 4.32 53 T C C 51.85 10.01 18.51 29.19 119.44 -159.48 -107.54 142.87 40.28 29.45 30.27 28.46 6.34 6.01 16.86 13.90 0.15 24.12 4.17 54 L H G 61.41 15.64 15.69 30.70 95.31 -129.77 -68.54 -29.24 34.02 12.47 53.51 11.90 8.87 16.69 13.00 37.48 0.30 10.05 1.72 55 W H G 109.98 11.51 17.14 28.68 97.35 54.49 -82.56 -6.49 40.81 9.94 49.25 11.80 9.55 22.34 10.69 35.99 0.23 7.77 1.64 56 K C C 108.35 7.99 19.96 28.31 103.52 81.47 -86.43 26.07 51.38 9.34 39.29 28.68 12.15 13.34 8.67 28.45 0.07 6.18 2.47 57 L C C 26.39 21.62 12.59 32.90 108.92 99.18 -83.27 114.73 86.26 3.59 10.15 64.43 17.62 4.12 4.03 6.11 0.01 1.83 1.85 58 P C G 68.31 8.02 19.90 28.49 100.18 -138.86 -66.14 -27.77 58.62 1.93 39.45 14.39 8.00 35.90 3.87 35.95 0.01 1.25 0.62 59 L C G 76.65 11.60 17.97 29.32 101.00 48.02 -77.70 5.30 53.84 2.89 43.27 10.18 7.31 36.25 3.83 39.57 0.03 1.98 0.87 60 F C G 60.39 17.56 14.46 31.01 105.01 116.80 -84.17 30.10 54.69 8.81 36.51 21.18 12.72 23.34 3.48 31.21 0.10 5.05 2.92 61 G C C 50.69 4.03 21.79 26.08 97.49 -111.64 81.24 10.58 88.87 5.74 5.39 46.17 13.24 29.22 0.63 5.55 0.00 3.63 1.55 62 A C C 19.62 17.88 10.04 27.61 116.86 145.17 -83.94 138.36 95.65 3.99 0.37 92.63 2.69 0.64 0.13 0.18 0.00 1.88 1.86 63 K C S 153.20 2.30 19.31 22.31 99.80 -174.73 -103.13 -11.29 99.57 0.35 0.08 31.36 67.85 0.48 0.03 0.03 0.00 0.12 0.14 64 T C S 65.49 3.73 22.36 25.80 132.84 39.06 -131.07 158.17 98.91 0.77 0.31 13.66 85.15 0.22 0.24 0.03 0.00 0.11 0.59 65 S H H 29.14 19.28 12.93 31.68 91.30 -115.79 -59.81 -37.49 2.35 0.01 97.65 0.28 0.33 1.65 96.55 1.18 0.00 0.00 0.00 66 R H H 152.00 2.97 20.89 24.52 91.06 55.58 -62.66 -40.08 1.23 0.00 98.77 0.19 0.09 0.82 97.81 1.09 0.00 0.00 0.00 67 E H H 83.88 5.00 21.75 27.00 91.70 48.99 -65.41 -40.18 0.33 0.00 99.67 0.08 0.03 0.17 98.97 0.75 0.00 0.00 0.00 68 V H H 3.61 24.02 16.22 40.70 91.29 50.42 -62.98 -44.27 0.16 0.00 99.84 0.03 0.01 0.08 99.79 0.09 0.00 0.00 0.00 69 L H H 29.88 17.42 21.39 38.21 91.47 50.10 -63.10 -42.29 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 70 A H H 58.15 2.57 26.53 27.80 91.32 50.63 -63.49 -42.33 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 71 E H H 40.98 13.09 22.47 35.78 91.97 49.68 -64.88 -41.91 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 72 V H H 1.27 27.62 17.54 46.06 91.12 50.07 -63.39 -43.34 0.09 0.00 99.91 0.00 0.00 0.07 99.92 0.01 0.00 0.00 0.00 73 Q H H 84.85 8.42 24.20 32.85 91.28 50.86 -62.75 -41.51 0.16 0.00 99.84 0.01 0.01 0.10 99.87 0.01 0.00 0.00 0.00 74 S H H 53.87 2.81 24.90 26.66 91.51 50.43 -63.98 -41.73 0.33 0.00 99.67 0.02 0.01 0.24 99.67 0.06 0.00 0.00 0.00 75 C H H 6.40 19.97 16.67 37.34 91.75 50.12 -64.11 -42.13 0.46 0.00 99.53 0.02 0.02 0.35 99.47 0.14 0.00 0.00 0.00 76 R H H 68.07 17.45 16.10 32.71 91.35 52.83 -63.59 -37.23 1.17 0.00 98.83 0.07 0.05 0.93 98.56 0.38 0.00 0.00 0.00 77 S H H 89.34 1.15 20.44 20.05 91.71 51.70 -68.14 -33.15 8.58 0.00 91.42 0.12 0.22 8.67 90.31 0.67 0.00 0.00 0.00 78 Q H H 106.73 4.59 17.92 23.22 94.77 44.84 -79.24 -29.70 11.39 0.01 88.60 0.14 0.70 10.84 87.91 0.39 0.01 0.00 0.00 79 Y C C 39.15 17.07 11.26 28.32 109.98 29.32 -130.07 68.94 99.12 0.22 0.66 51.68 46.29 1.09 0.59 0.09 0.00 0.05 0.22 80 P C T 85.73 5.44 17.41 24.61 110.17 -175.01 -65.74 132.65 99.63 0.12 0.25 3.59 3.13 92.97 0.03 0.18 0.00 0.06 0.05 81 G C T 46.63 5.49 20.34 26.68 94.90 20.14 82.42 0.96 99.77 0.11 0.12 1.10 6.54 92.14 0.01 0.12 0.00 0.08 0.01 82 H C S 33.57 17.24 17.37 34.72 129.00 105.48 -108.52 154.58 92.78 7.18 0.05 39.09 53.37 0.48 0.00 0.04 0.00 6.77 0.24 83 Y E E 36.28 16.31 25.11 41.24 123.41 -130.69 -102.92 146.19 8.42 91.58 0.01 7.70 0.41 0.02 0.00 0.00 0.00 91.61 0.26 84 I E E 2.12 26.79 22.13 49.71 120.35 -151.12 -112.11 133.51 0.56 99.44 0.00 0.52 0.01 0.00 0.00 0.00 0.00 99.45 0.01 85 R E E 33.79 17.78 28.33 45.43 123.00 -166.58 -115.67 135.15 0.25 99.75 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.78 0.00 86 V E E 2.54 26.32 23.11 49.84 119.61 -159.44 -113.53 129.08 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 87 V E E 15.70 18.13 27.29 45.06 123.91 -168.75 -118.81 134.31 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 88 G E E 3.72 22.58 22.46 44.58 133.56 -171.41 -130.97 154.25 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 89 F E E 42.65 14.17 22.12 36.83 124.97 -150.14 -122.74 136.83 0.26 99.74 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.71 0.02 90 D E E 25.96 13.05 16.15 31.00 109.64 -146.51 -99.71 114.65 9.17 90.82 0.01 8.74 0.26 0.02 0.00 0.00 0.00 90.78 0.19 91 N C T 90.56 7.22 15.01 23.80 93.56 -161.19 -71.34 -25.66 98.12 0.23 1.65 0.49 3.46 94.18 0.06 1.61 0.00 0.16 0.05 92 I C T 132.84 1.31 14.92 15.85 96.72 48.17 -74.96 -40.49 98.13 0.13 1.75 0.57 3.53 93.98 0.06 1.75 0.00 0.07 0.04 93 K C T 119.64 3.24 13.92 18.05 98.99 25.47 -100.94 -9.14 98.53 0.08 1.39 0.98 2.85 94.68 0.07 1.36 0.00 0.04 0.02 94 Q C T 114.56 6.39 14.36 22.65 94.48 -127.48 56.78 41.30 99.41 0.22 0.36 11.00 3.45 85.08 0.10 0.18 0.00 0.16 0.03 95 C E E 41.80 8.95 18.77 29.11 136.87 124.22 -140.11 159.94 14.94 85.02 0.04 12.53 1.73 0.22 0.01 0.03 0.00 84.78 0.70 96 Q E E 57.14 16.56 17.07 33.27 110.93 -105.30 -74.91 128.23 0.88 99.11 0.00 0.89 0.02 0.00 0.00 0.00 0.00 99.02 0.06 97 I E E 47.16 13.87 20.63 34.63 102.25 177.14 -99.45 -31.24 1.85 98.15 0.00 1.39 0.26 0.01 0.00 0.00 0.00 98.33 0.01 98 L E E 40.45 13.45 23.54 37.21 139.74 0.97 -151.96 147.66 1.27 98.73 0.00 1.03 0.08 0.00 0.00 0.00 0.00 98.87 0.01 99 S E E 20.25 22.22 18.41 39.39 131.35 -172.23 -137.35 143.42 1.41 98.58 0.00 1.26 0.04 0.00 0.00 0.00 0.00 98.69 0.01 100 F E E 46.72 14.15 25.28 39.37 127.37 -168.89 -129.25 138.09 0.61 99.39 0.00 0.54 0.02 0.00 0.00 0.00 0.00 99.44 0.01 101 I E E 31.19 19.03 20.95 39.50 112.37 -135.21 -90.88 122.16 0.53 99.47 0.00 0.49 0.01 0.00 0.00 0.00 0.00 99.49 0.01 102 V E E 28.49 16.30 21.25 37.49 102.27 176.14 -97.23 -32.09 2.22 97.77 0.00 1.83 0.20 0.01 0.00 0.00 0.00 97.90 0.06 103 H E E 62.12 11.38 22.64 34.24 135.06 2.54 -147.61 143.85 12.28 87.70 0.02 10.36 1.60 0.09 0.01 0.02 0.00 87.19 0.73 104 K C C 78.13 15.63 17.27 32.27 118.39 -151.27 -107.03 126.33 83.83 16.11 0.06 79.83 2.96 0.17 0.01 0.05 0.00 16.40 0.57 105 P C C 30.10 15.68 12.06 28.12 115.90 -112.96 -67.55 152.37 94.88 3.68 1.43 77.94 8.72 7.77 0.15 1.74 0.00 3.03 0.66 106 S C C 84.83 2.57 14.89 18.39 103.10 -108.48 -72.79 57.57 97.25 1.27 1.47 41.95 34.69 20.15 0.11 1.96 0.00 0.71 0.42 107 R C C 168.67 2.53 12.46 16.30 114.26 2.17 -103.29 121.14 96.51 1.88 1.62 68.63 11.38 15.98 0.18 1.92 0.00 1.07 0.84 108 Y C C 134.15 7.97 10.94 19.98 110.01 -125.55 -88.85 111.86 99.78 0.19 0.03 99.58 0.19 0.08 0.01 0.01 0.00 0.10 0.03