# 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 103.88 8.32 12.14 21.48 118.43 -166.33 -101.01 137.36 99.76 0.22 0.02 99.67 0.12 0.05 0.01 0.00 0.00 0.12 0.02 1 S C C 76.60 3.97 12.02 17.67 117.89 -155.95 -100.07 139.82 84.59 13.07 2.34 81.51 1.42 1.98 1.43 0.70 0.00 8.49 4.47 2 I C C 103.07 6.93 9.32 17.67 114.82 -148.31 -96.88 131.38 79.97 15.16 4.86 59.81 14.85 4.88 3.07 2.06 0.01 11.07 4.25 3 S C C 64.06 4.97 10.91 17.45 115.09 -128.82 -83.84 145.74 81.29 9.91 8.79 64.65 10.31 5.79 6.14 3.04 0.01 7.67 2.41 4 Q C C 126.53 3.99 11.47 17.04 99.91 -132.78 -75.95 -22.35 61.73 4.98 33.30 33.87 13.59 15.03 23.33 9.48 0.07 3.03 1.61 5 S C H 71.75 3.73 12.30 17.23 100.06 66.44 -76.72 -24.02 57.44 2.95 39.62 25.69 13.64 19.40 27.42 10.97 0.08 1.66 1.14 6 D C H 89.12 5.55 12.22 18.92 99.09 57.80 -76.48 -21.93 50.98 3.38 45.64 28.10 10.71 13.34 32.87 11.70 0.06 2.02 1.21 7 A H H 59.61 6.84 11.30 19.48 98.43 68.47 -72.57 -27.36 45.48 4.57 49.94 26.85 9.46 10.58 37.20 11.47 0.08 3.03 1.33 8 S C H 72.63 4.10 13.27 18.59 100.09 63.02 -77.93 -15.83 46.80 7.70 45.49 28.34 8.18 11.03 34.46 10.41 0.09 5.79 1.71 9 L C H 103.35 5.74 11.85 18.82 100.99 65.81 -85.02 -5.24 45.76 13.10 41.14 26.43 8.99 11.25 30.56 9.94 0.19 10.05 2.58 10 A C C 70.20 5.47 12.04 18.90 108.24 93.01 -83.16 92.98 55.19 15.32 29.49 31.87 10.96 12.38 23.28 6.63 0.16 12.00 2.73 11 A C C 77.70 4.12 12.45 18.13 108.76 -119.04 -87.25 97.27 65.16 15.33 19.52 37.22 14.62 13.23 14.70 5.39 0.14 11.74 2.96 12 V C C 81.32 7.34 10.48 19.40 116.62 95.57 -99.30 132.24 80.90 11.62 7.48 55.29 22.81 2.95 6.31 1.65 0.02 8.60 2.37 13 P C C 82.77 4.78 13.39 19.69 113.37 -109.22 -68.34 147.84 78.78 9.39 11.83 66.12 6.28 5.47 8.75 3.50 0.00 8.21 1.66 14 A C C 71.26 5.99 11.51 19.07 110.91 -110.75 -75.05 137.05 66.16 12.56 21.28 43.97 12.48 9.66 13.11 8.51 0.05 9.38 2.84 15 V C C 88.20 6.95 10.70 19.02 112.08 -140.43 -92.45 128.54 55.02 19.39 25.59 34.49 11.71 9.36 15.15 10.58 0.17 14.87 3.67 16 D C C 100.11 4.29 12.61 18.44 106.15 -154.98 -89.43 74.59 57.04 19.48 23.48 36.14 11.41 9.87 12.45 11.06 0.11 15.93 3.02 17 Q C C 112.97 5.15 12.91 19.47 106.67 89.86 -94.06 55.65 59.56 22.33 18.11 38.30 11.55 10.33 8.98 9.10 0.10 17.93 3.71 18 F C C 104.55 8.61 10.80 20.57 114.67 124.76 -98.04 125.58 64.84 25.63 9.53 42.35 15.57 6.48 5.50 4.36 0.19 16.19 9.36 19 D C C 68.33 5.96 11.63 19.47 111.27 -146.92 -100.06 114.90 88.27 10.70 1.03 71.00 15.28 1.70 0.48 0.59 0.00 7.22 3.72 20 P C T 92.36 5.09 10.35 17.50 93.80 -150.19 -63.93 -23.95 75.43 2.20 22.37 21.87 10.89 42.95 3.23 18.86 0.01 1.36 0.83 21 S C T 90.03 1.41 11.38 13.22 95.52 60.12 -77.36 -15.65 72.40 2.24 25.37 12.61 13.41 46.44 3.63 21.47 0.02 1.33 1.09 22 S C T 72.87 3.69 10.65 15.71 100.04 52.81 -90.01 2.96 71.31 2.91 25.78 15.46 21.13 35.68 2.96 21.72 0.02 1.44 1.58 23 G C T 54.18 3.05 12.02 16.51 100.04 -109.40 78.36 7.42 88.45 3.34 8.21 30.71 22.52 35.72 1.51 6.43 0.00 1.76 1.34 24 A C C 59.38 6.79 10.31 18.73 115.18 133.56 -85.38 140.09 81.90 10.67 7.43 48.79 20.50 12.47 1.80 5.86 0.01 5.39 5.19 25 S C C 79.19 3.75 13.21 18.57 116.77 -145.65 -97.98 139.72 80.87 12.54 6.59 41.66 20.95 19.10 1.47 5.11 0.02 7.12 4.56 26 G C C 41.90 6.83 13.35 21.35 119.05 -43.23 93.95 -2.96 85.37 9.17 5.46 39.05 22.16 25.00 0.88 4.73 0.00 5.86 2.32 27 G C C 42.29 7.28 14.33 22.50 117.28 -109.00 -109.50 164.28 80.46 13.74 5.80 47.17 19.47 13.95 1.19 5.12 0.01 9.02 4.07 28 Y C C 111.11 10.56 12.08 23.21 116.77 -123.48 -101.52 136.17 74.89 20.81 4.29 47.12 18.07 9.21 1.27 3.44 0.02 12.88 8.00 29 D C C 100.70 4.71 15.74 21.69 109.87 -148.06 -91.92 106.16 85.47 12.73 1.80 57.20 23.87 4.47 0.50 1.47 0.00 8.53 3.95 30 T C C 60.45 10.49 12.14 23.51 118.02 -143.46 -102.62 133.65 93.40 5.86 0.74 71.35 20.72 1.49 0.28 0.48 0.00 3.67 1.99 31 P C C 73.04 7.61 13.42 22.36 109.26 -112.17 -66.97 146.44 88.15 4.44 7.41 63.30 9.67 14.55 1.41 6.64 0.00 2.73 1.69 32 L C T 109.91 6.33 13.04 20.62 109.02 -113.27 -78.52 122.62 86.00 4.41 9.59 23.68 17.18 45.42 1.61 7.82 0.01 2.47 1.82 33 G C T 47.81 5.12 14.95 21.07 104.43 13.96 88.62 -2.81 86.51 5.00 8.49 27.87 18.91 40.38 1.28 7.03 0.01 3.00 1.53 34 I C C 75.11 11.63 11.25 23.32 114.47 120.69 -93.77 125.68 80.97 13.32 5.70 52.50 17.12 10.74 1.60 4.39 0.01 7.01 6.63 35 T C C 84.23 6.07 15.67 22.83 109.43 -155.14 -96.80 60.43 84.54 12.19 3.27 43.92 30.90 10.43 0.95 2.40 0.01 6.98 4.42 36 N C S 84.11 9.27 15.23 25.25 114.47 41.61 -108.50 112.28 94.77 4.95 0.27 38.09 56.27 1.20 0.09 0.16 0.00 2.89 1.30 37 P C C 44.40 11.29 14.52 27.05 115.92 -122.71 -68.38 152.98 98.16 1.51 0.33 85.73 11.78 0.79 0.19 0.12 0.00 0.88 0.52 38 P C C 59.97 6.21 19.24 26.36 110.16 -101.94 -65.85 142.78 93.64 4.38 1.98 90.48 2.14 1.02 1.59 0.33 0.00 1.47 2.96 39 I H H 43.83 17.99 12.31 29.78 93.30 -129.31 -61.69 -37.87 10.18 0.24 89.58 4.96 2.45 4.15 82.23 5.95 0.03 0.11 0.13 40 D H H 91.00 4.20 17.43 22.64 92.03 56.44 -63.91 -38.84 4.40 0.07 95.52 0.98 0.58 2.73 87.71 7.93 0.01 0.05 0.02 41 E H H 101.58 2.77 18.36 20.93 92.37 49.90 -67.22 -38.32 2.71 0.06 97.23 0.57 0.31 1.72 88.39 8.95 0.01 0.05 0.01 42 L H H 21.00 16.38 12.63 29.55 92.72 52.22 -65.79 -41.03 3.12 0.07 96.81 0.69 0.41 1.94 89.78 7.10 0.01 0.05 0.01 43 L H H 55.68 13.14 12.91 26.49 91.87 54.88 -66.68 -31.58 7.98 0.14 91.88 1.28 0.83 5.65 82.32 9.74 0.05 0.09 0.05 44 D H H 119.52 1.07 17.97 17.68 92.46 54.37 -72.60 -23.27 22.30 0.12 77.58 1.38 1.66 19.08 70.55 7.10 0.09 0.06 0.08 45 R H H 141.07 4.03 16.01 20.91 98.81 43.58 -92.50 -20.72 29.51 0.18 70.31 2.08 3.57 24.05 65.59 4.38 0.11 0.07 0.14 46 V C C 29.77 16.55 8.30 24.26 126.77 48.92 -124.11 144.45 74.38 1.63 24.00 49.53 15.04 8.04 24.11 1.43 0.01 0.46 1.38 47 S C S 92.35 1.45 17.77 18.88 96.04 -151.32 -80.68 -21.76 98.50 0.48 1.02 41.01 52.40 5.15 0.72 0.28 0.00 0.18 0.25 48 S C S 44.00 6.03 19.85 26.63 137.04 22.47 -142.33 159.57 96.24 1.82 1.94 30.83 63.95 1.30 1.74 0.27 0.00 0.40 1.52 49 K H H 76.04 16.51 16.47 32.21 92.09 -114.88 -61.69 -36.80 2.37 0.01 97.63 0.37 0.46 1.41 97.31 0.45 0.00 0.00 0.00 50 Y H H 102.50 10.86 21.49 32.24 91.69 55.46 -63.44 -40.76 1.24 0.00 98.75 0.16 0.11 0.89 98.38 0.47 0.00 0.00 0.00 51 A H H 28.31 9.09 22.81 33.02 91.40 50.58 -64.62 -41.27 0.22 0.00 99.78 0.04 0.02 0.13 99.53 0.28 0.00 0.00 0.00 52 L H H 10.55 20.93 20.49 41.23 91.11 51.35 -63.26 -42.93 0.05 0.00 99.95 0.01 0.00 0.03 99.92 0.04 0.00 0.00 0.00 53 V H H 17.75 19.46 23.27 42.01 91.47 50.26 -63.91 -42.75 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 54 I H H 61.82 8.88 27.12 36.51 91.54 49.76 -63.87 -42.81 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.00 0.00 0.00 0.00 55 Y H H 44.48 13.36 26.15 39.90 91.70 49.32 -64.09 -42.93 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 56 A H H 4.09 22.75 22.89 45.44 91.42 50.18 -63.92 -42.93 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.00 0.00 0.00 0.00 57 A H H 20.54 14.89 24.21 39.08 91.53 51.67 -63.21 -42.44 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 58 K H H 93.04 5.83 28.04 34.49 91.53 49.82 -63.90 -42.08 0.16 0.00 99.84 0.01 0.00 0.11 99.87 0.01 0.00 0.00 0.00 59 R H H 43.20 15.54 24.22 39.35 91.90 49.57 -65.01 -41.75 0.17 0.00 99.83 0.01 0.01 0.10 99.86 0.01 0.00 0.00 0.00 60 A H H 8.36 20.25 19.89 40.12 91.29 52.01 -62.59 -42.33 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 61 R H H 118.09 5.47 25.35 31.14 91.44 50.68 -63.45 -41.69 0.20 0.00 99.80 0.01 0.00 0.13 99.81 0.03 0.00 0.00 0.00 62 Q H H 78.54 5.84 24.21 30.29 91.60 49.91 -64.25 -42.00 0.37 0.00 99.63 0.03 0.01 0.25 99.64 0.06 0.00 0.00 0.00 63 I H H 16.55 18.26 18.65 37.25 91.73 49.32 -64.21 -42.42 0.59 0.00 99.41 0.08 0.04 0.38 99.40 0.11 0.00 0.00 0.00 64 N H H 48.25 11.89 19.50 31.85 91.45 51.50 -63.39 -41.32 1.30 0.00 98.70 0.20 0.09 0.84 98.62 0.25 0.00 0.00 0.00 65 D H H 78.97 2.43 22.38 23.49 91.78 49.73 -64.80 -40.62 2.87 0.02 97.11 0.40 0.23 2.03 96.73 0.59 0.01 0.01 0.00 66 Y H H 72.94 8.03 18.02 27.44 92.35 49.45 -65.75 -41.05 4.08 0.06 95.86 0.78 0.45 2.75 94.95 1.02 0.02 0.03 0.02 67 Y H H 47.04 14.55 13.23 28.29 92.43 51.32 -64.82 -40.53 6.30 0.17 93.53 1.84 0.92 3.78 91.58 1.71 0.03 0.10 0.05 68 N H H 102.72 3.10 15.85 19.86 92.55 51.62 -66.03 -36.43 11.87 0.23 87.90 2.51 1.37 8.21 85.00 2.65 0.05 0.14 0.07 69 Q H H 129.17 1.58 15.49 16.79 93.98 51.09 -71.31 -30.58 19.71 0.28 80.01 2.98 2.55 14.67 76.63 2.80 0.10 0.14 0.13 70 L H H 80.93 7.28 11.54 20.17 97.70 48.94 -85.28 -13.99 44.01 1.00 54.99 8.91 9.91 26.91 50.15 2.94 0.20 0.38 0.60 71 G C T 45.85 3.76 13.65 18.65 110.82 -116.26 79.08 13.25 79.22 1.08 19.70 32.17 10.35 37.09 12.95 6.30 0.00 0.55 0.59 72 E C T 132.33 3.86 12.57 17.83 104.31 -35.44 -79.67 25.51 70.16 1.29 28.55 18.34 14.81 37.21 15.40 12.75 0.04 0.61 0.83 73 G C T 42.24 5.18 14.21 20.51 105.30 33.19 54.56 -24.79 67.91 1.75 30.34 22.73 14.16 31.76 16.07 13.42 0.04 0.86 0.97 74 I C C 76.00 9.07 12.93 23.04 104.09 96.00 -83.01 9.51 51.46 5.65 42.89 30.47 9.98 11.51 25.76 16.91 0.05 3.60 1.71 75 L H C 71.06 11.30 12.46 24.13 105.05 81.42 -83.33 56.28 44.05 11.35 44.60 26.04 8.36 10.35 25.13 19.41 0.11 8.47 2.13 76 E C C 115.49 5.55 15.33 21.94 102.82 136.08 -83.28 9.34 44.62 14.53 40.86 26.06 8.18 10.99 22.98 17.98 0.13 11.48 2.20 77 Y C C 130.09 7.24 13.81 21.96 104.30 68.39 -89.69 7.20 49.13 17.43 33.43 27.72 9.75 12.43 20.61 12.85 0.25 13.15 3.25 78 V C C 74.17 9.48 12.96 23.17 107.08 89.96 -96.34 21.26 64.08 16.27 19.66 35.29 16.63 12.58 14.80 5.31 0.25 10.98 4.16 79 G C C 31.71 7.57 15.08 23.64 125.74 -101.81 139.83 174.53 85.01 8.26 6.73 44.03 26.58 15.26 2.82 3.70 0.01 5.51 2.10 80 P C C 81.05 6.13 15.46 22.61 102.80 -34.03 -70.12 39.90 83.52 4.06 12.42 34.26 20.16 30.21 4.01 7.58 0.01 2.40 1.36 81 L C C 82.94 9.96 14.72 25.05 100.15 70.35 -81.27 -12.51 74.06 12.99 12.95 30.61 19.89 25.38 4.67 7.53 0.09 7.77 4.06 82 V C C 52.34 13.64 11.75 25.49 113.68 68.47 -101.25 119.70 71.24 17.76 11.01 39.29 22.24 10.14 5.09 5.95 0.11 9.22 7.96 83 E C C 106.16 5.65 14.79 21.76 116.73 -143.43 -92.02 135.31 91.10 5.45 3.45 66.30 21.52 3.21 1.99 1.60 0.00 3.21 2.18 84 P C T 93.98 4.99 13.26 19.74 105.30 -106.15 -64.87 128.36 77.80 1.58 20.62 20.28 11.33 46.37 7.45 12.87 0.01 0.91 0.78 85 G C T 47.09 4.72 15.08 20.81 99.21 31.78 63.38 -8.36 75.59 1.30 23.11 19.72 11.16 44.88 7.88 14.92 0.01 0.71 0.71 86 L C C 61.51 12.91 11.31 24.33 100.35 90.37 -78.09 -14.78 65.78 2.28 31.94 34.71 12.77 18.45 8.84 22.92 0.01 1.13 1.17 87 Q C C 102.94 8.15 14.72 23.60 101.33 77.72 -83.64 6.17 72.18 2.60 25.22 38.41 13.45 20.68 8.24 16.55 0.01 1.28 1.38 88 E C C 110.23 6.43 16.15 23.57 103.94 88.81 -85.28 -5.33 80.88 2.27 16.85 41.74 26.95 12.51 6.85 9.49 0.01 0.95 1.50 89 K C C 93.07 8.63 19.73 28.64 116.54 29.87 -92.98 132.38 97.11 0.88 2.01 69.63 26.51 0.76 1.92 0.29 0.00 0.26 0.62 90 P H H 30.83 18.63 18.40 36.65 92.87 -127.27 -59.35 -38.11 4.27 0.03 95.70 1.05 0.62 2.47 95.13 0.70 0.00 0.01 0.01 91 L H H 26.06 20.41 20.90 40.36 92.14 53.58 -64.49 -39.46 2.22 0.02 97.76 0.38 0.19 1.46 97.31 0.65 0.00 0.01 0.00 92 S H H 32.17 9.53 24.12 34.31 91.67 50.71 -64.70 -41.34 0.97 0.03 99.00 0.31 0.09 0.52 98.43 0.63 0.00 0.02 0.00 93 I H H 27.48 12.72 23.90 37.43 91.73 50.32 -64.18 -42.69 0.16 0.03 99.80 0.05 0.01 0.08 99.72 0.12 0.00 0.02 0.00 94 A H H 3.38 23.10 20.86 44.08 91.42 51.00 -63.29 -43.95 0.10 0.05 99.85 0.02 0.01 0.05 99.81 0.07 0.00 0.04 0.00 95 L H H 32.36 16.49 23.24 39.21 91.56 50.35 -63.28 -42.17 0.10 0.09 99.81 0.02 0.01 0.05 99.78 0.06 0.00 0.08 0.00 96 R H H 102.61 6.46 25.27 32.05 91.64 50.05 -64.24 -41.57 0.11 0.15 99.74 0.02 0.01 0.07 99.70 0.07 0.00 0.13 0.00 97 E H H 27.77 13.98 19.59 34.46 91.73 49.64 -64.61 -42.08 0.28 0.20 99.51 0.05 0.02 0.19 99.45 0.11 0.00 0.18 0.00 98 I H H 20.79 18.61 16.59 35.22 92.00 49.16 -64.63 -43.15 0.82 0.14 99.04 0.10 0.04 0.63 98.88 0.22 0.00 0.11 0.01 99 H H H 105.66 7.76 18.36 26.87 90.99 50.88 -65.53 -33.42 5.24 0.05 94.71 0.19 0.18 4.93 94.36 0.29 0.01 0.02 0.01 100 A C T 59.53 4.95 16.66 22.79 92.88 52.70 -84.78 -2.84 87.77 0.04 12.19 0.32 1.39 84.71 13.11 0.42 0.00 0.01 0.04 101 D C T 105.86 5.04 16.93 23.50 93.65 -118.73 61.61 33.54 98.78 0.03 1.19 0.94 1.90 96.21 0.80 0.13 0.00 0.01 0.01 102 L C S 51.49 11.74 16.13 29.05 95.46 132.78 -84.14 -17.69 97.33 1.84 0.82 41.82 51.47 4.34 0.30 0.48 0.00 1.23 0.36 103 L E E 16.72 22.78 12.27 34.40 127.34 45.92 -123.88 140.92 46.02 52.88 1.09 27.90 18.29 3.00 0.47 0.76 0.01 46.16 3.41 104 E E E 105.30 5.07 23.09 29.06 124.96 -168.21 -122.72 139.89 29.10 70.34 0.56 26.37 2.37 0.53 0.28 0.30 0.00 68.56 1.61 105 H E E 71.83 17.72 13.20 29.95 118.60 -144.86 -102.29 132.37 34.37 65.14 0.49 31.73 1.93 0.48 0.22 0.26 0.00 63.81 1.58 106 T C E 67.51 6.93 15.14 23.50 123.22 -171.92 -119.16 139.35 51.67 47.08 1.25 44.00 5.04 2.11 0.41 0.90 0.00 45.71 1.84 107 E C C 135.26 4.11 11.31 17.61 114.30 -137.17 -91.99 130.83 66.97 30.67 2.36 40.12 14.51 13.34 0.48 1.94 0.01 27.93 1.68 108 G C C 54.41 2.43 11.67 15.45 111.81 27.11 93.10 -99.48 90.20 8.44 1.36 73.18 4.60 11.86 0.28 0.96 0.00 8.30 0.83 109 E C C 140.49 2.82 11.77 16.11 111.12 -66.07 -86.98 120.87 99.69 0.28 0.03 99.53 0.16 0.08 0.01 0.01 0.00 0.19 0.02