# 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 86.34 8.62 10.70 20.56 116.57 -136.92 -90.78 138.73 99.92 0.05 0.02 99.73 0.18 0.03 0.01 0.00 0.00 0.02 0.01 1 P C C 90.20 3.45 10.70 15.73 109.54 -107.32 -69.19 146.67 78.35 0.89 20.76 72.89 1.09 6.21 14.82 4.07 0.00 0.44 0.47 2 R C C 164.73 2.84 8.60 13.08 107.96 -119.34 -79.61 102.62 61.98 2.18 35.84 37.67 12.21 12.63 25.35 9.93 0.01 1.06 1.14 3 R C C 158.42 2.93 8.91 13.48 109.41 -125.63 -88.03 114.77 55.71 3.47 40.83 35.45 10.79 10.13 28.87 11.39 0.03 1.91 1.42 4 R C C 150.77 4.06 9.26 15.02 109.52 -140.32 -87.91 114.63 53.79 3.76 42.45 37.03 9.08 8.38 31.63 10.30 0.02 2.20 1.36 5 R C C 154.49 3.60 10.40 15.62 110.28 68.28 -91.16 115.29 59.82 4.74 35.44 39.67 10.50 9.82 27.61 7.75 0.03 2.65 1.96 6 R C C 143.42 4.93 10.29 16.87 111.86 -146.74 -90.83 122.29 66.85 5.42 27.73 43.67 11.65 11.24 22.01 6.06 0.03 2.94 2.40 7 R C C 149.97 4.49 11.05 17.25 111.45 -150.12 -89.09 126.11 73.10 4.75 22.15 39.34 14.82 19.36 16.62 5.27 0.04 2.40 2.16 8 G C C 47.09 4.88 11.91 18.17 110.22 7.72 80.88 3.20 82.76 2.77 14.46 38.99 19.93 24.40 8.50 5.45 0.01 1.31 1.41 9 S C C 76.82 4.30 11.96 17.63 107.37 -69.44 -83.65 72.32 82.05 2.98 14.97 41.65 20.08 20.72 7.06 7.42 0.01 1.35 1.71 10 S C C 77.57 4.28 12.14 17.70 104.91 58.77 -85.60 26.68 82.89 2.97 14.14 33.13 22.41 28.17 5.31 7.98 0.02 1.35 1.64 11 G C C 43.34 6.27 12.17 19.62 109.44 -11.94 54.82 -32.13 83.70 2.40 13.91 33.40 24.80 26.19 4.32 8.82 0.01 1.06 1.40 12 A C C 74.25 5.09 12.53 18.87 104.50 -28.68 -82.93 33.67 81.39 2.46 16.14 32.74 22.58 26.84 5.47 9.82 0.01 1.13 1.40 13 G C C 49.15 4.71 13.73 19.60 106.75 31.05 56.32 -4.92 81.25 2.50 16.24 32.92 23.20 25.97 5.58 9.78 0.01 1.15 1.39 14 G C C 41.94 6.90 12.40 20.42 112.35 -71.34 15.23 -40.73 78.81 3.02 18.18 44.09 18.57 16.24 7.11 10.88 0.01 1.44 1.66 15 R C C 153.44 4.74 12.96 19.13 107.33 -37.50 -85.84 88.53 75.37 4.15 20.48 42.24 14.64 18.85 9.27 10.84 0.01 2.19 1.96 16 G C C 46.52 6.15 12.74 20.14 111.12 52.35 -86.41 137.99 77.13 4.12 18.75 42.02 17.87 17.73 8.67 9.69 0.01 2.29 1.71 17 R C C 145.99 5.41 12.66 19.49 113.40 -78.27 -89.94 132.84 75.19 6.90 17.91 48.52 18.17 8.46 11.29 6.81 0.02 4.31 2.43 18 T C C 91.09 5.00 13.46 20.02 114.69 -141.24 -92.61 134.54 73.37 10.09 16.53 54.61 11.26 6.63 12.49 4.85 0.02 6.79 3.35 19 C C C 64.66 10.65 11.53 22.74 116.48 -145.42 -95.74 137.08 73.36 8.88 17.77 55.18 11.27 6.18 14.58 4.01 0.01 5.66 3.11 20 S C C 57.10 6.33 14.84 22.31 118.83 -148.28 -97.47 151.24 67.89 6.19 25.92 50.21 10.59 6.86 21.53 4.94 0.02 3.76 2.09 21 R H H 138.58 7.61 13.93 22.49 99.41 -127.27 -75.79 -18.47 47.96 2.87 49.17 22.39 13.05 14.27 38.82 8.70 0.08 1.81 0.88 22 T H H 70.53 7.33 14.63 22.97 99.49 66.30 -76.95 -26.19 44.50 4.12 51.39 23.99 9.43 12.49 39.71 10.36 0.08 2.80 1.13 23 V H H 73.12 7.99 14.84 23.83 98.76 59.17 -74.20 -28.93 41.18 4.95 53.87 23.38 8.46 10.76 42.29 10.28 0.08 3.51 1.24 24 R H H 111.41 9.89 14.92 25.22 97.60 57.30 -74.70 -23.35 43.90 5.64 50.47 23.79 9.25 12.57 40.12 8.77 0.10 3.91 1.47 25 A C H 45.56 10.83 13.95 25.46 100.06 70.44 -76.57 -18.64 55.24 4.53 40.23 28.08 11.85 16.05 31.48 8.19 0.07 2.94 1.32 26 E C C 126.80 4.45 18.47 23.71 99.03 61.79 -76.09 11.41 65.44 5.37 29.19 33.19 12.06 20.36 21.29 7.90 0.05 3.59 1.57 27 L C C 48.66 17.06 11.74 27.91 110.56 120.36 -85.38 118.06 73.59 7.48 18.93 47.37 12.14 13.50 13.61 6.10 0.03 4.97 2.28 28 S C C 74.93 5.16 19.32 25.07 101.23 -153.56 -93.69 -5.29 79.53 10.13 10.34 41.97 26.11 11.75 7.49 3.35 0.05 6.65 2.63 29 F C S 50.58 15.40 13.77 29.36 122.56 87.32 -111.16 140.17 88.58 8.49 2.93 34.63 52.11 2.49 2.52 0.74 0.01 5.41 2.10 30 S C C 51.13 5.08 22.11 27.18 115.43 -109.20 -71.57 149.15 86.13 11.05 2.83 84.09 2.03 0.67 2.64 0.42 0.00 5.56 4.59 31 V H H 43.26 17.98 13.59 31.09 92.73 -117.86 -60.27 -37.14 3.04 0.04 96.92 0.99 0.44 1.53 96.00 1.01 0.01 0.02 0.01 32 S H H 61.51 3.77 20.91 24.80 91.42 57.04 -63.44 -39.08 1.70 0.02 98.27 0.34 0.17 1.11 97.16 1.20 0.00 0.01 0.00 33 Q H H 75.52 6.65 20.70 27.99 91.98 50.05 -66.29 -40.29 0.99 0.02 98.98 0.27 0.12 0.57 97.74 1.29 0.00 0.02 0.00 34 V H H 7.74 21.86 15.54 37.61 92.01 50.53 -64.34 -43.31 0.92 0.02 99.06 0.25 0.11 0.50 98.60 0.52 0.00 0.01 0.00 35 E H H 67.24 11.73 19.82 31.70 91.60 51.35 -62.71 -41.46 1.62 0.03 98.35 0.40 0.16 0.95 98.08 0.38 0.00 0.02 0.00 36 R H H 122.14 2.63 22.61 24.23 91.80 50.67 -64.20 -41.93 2.42 0.04 97.54 0.46 0.27 1.60 97.04 0.59 0.01 0.02 0.01 37 S H H 21.02 11.00 17.57 30.24 91.84 50.04 -64.79 -41.16 3.19 0.08 96.73 0.82 0.42 1.97 95.54 1.17 0.02 0.04 0.02 38 L H H 22.93 18.44 14.10 32.46 92.65 50.24 -65.87 -39.19 4.01 0.09 95.90 0.85 0.44 2.76 93.84 2.00 0.03 0.06 0.02 39 R H H 136.07 5.38 17.53 23.88 92.45 51.81 -67.14 -33.09 9.76 0.12 90.12 0.96 0.88 8.02 88.24 1.72 0.06 0.06 0.05 40 E C T 123.47 2.43 16.65 19.03 95.99 51.77 -82.60 -9.30 62.12 0.22 37.66 1.55 3.56 55.57 36.98 2.04 0.05 0.08 0.17 41 G C T 39.46 8.75 13.21 22.72 99.49 -100.91 78.63 6.60 91.50 0.23 8.27 6.40 7.72 77.44 6.04 2.14 0.00 0.10 0.16 42 H C C 105.29 6.42 14.54 22.21 102.06 124.63 -82.63 17.90 72.16 1.18 26.66 32.26 17.32 22.81 9.09 17.14 0.01 0.48 0.88 43 Y C T 103.37 10.86 14.37 25.41 102.53 71.55 -88.41 0.29 61.16 2.47 36.37 19.46 14.36 28.17 11.10 24.19 0.09 1.19 1.44 44 A C G 45.46 11.04 13.31 24.91 107.41 65.88 -86.15 72.62 50.50 3.10 46.40 22.90 11.08 17.49 11.92 33.56 0.08 1.70 1.25 45 Q C G 122.25 4.64 16.14 21.89 102.76 89.14 -83.68 4.75 56.70 2.89 40.41 21.87 15.51 20.47 9.77 29.49 0.09 1.49 1.31 46 R C C 143.28 4.48 16.72 22.40 118.97 49.51 -109.38 135.25 60.41 6.44 33.15 30.37 14.70 17.06 8.39 23.34 0.08 3.58 2.49 47 L C C 66.34 15.31 10.84 25.48 113.90 -134.60 -90.04 128.99 82.37 7.98 9.65 59.71 16.60 5.23 4.90 4.96 0.01 3.46 5.13 48 S C C 50.36 5.59 16.56 23.09 126.72 -167.00 -104.77 167.21 90.45 3.45 6.10 74.30 10.37 5.29 2.49 3.66 0.00 1.56 2.33 49 R C T 173.10 3.17 15.12 19.94 92.08 -94.74 -63.82 -28.10 92.90 0.25 6.86 1.97 9.30 82.29 2.37 3.76 0.00 0.11 0.21 50 T C T 78.23 5.86 17.15 23.96 95.71 55.32 -86.01 -6.94 92.07 0.16 7.77 3.91 5.94 82.67 4.01 3.25 0.00 0.08 0.14 51 A H H 16.66 15.93 15.13 31.91 92.90 88.07 -61.33 -41.68 17.17 0.11 82.72 9.21 5.69 3.00 80.86 1.15 0.00 0.03 0.06 52 P H H 32.64 16.39 18.53 34.54 91.85 52.66 -64.25 -38.85 4.02 0.03 95.94 1.48 0.47 2.00 95.17 0.83 0.00 0.02 0.01 53 V H H 67.80 7.87 22.91 30.86 92.04 51.14 -64.84 -41.54 0.66 0.01 99.34 0.18 0.06 0.35 99.00 0.41 0.00 0.00 0.00 54 Y H H 86.96 10.02 23.49 33.40 91.83 49.67 -64.87 -42.15 0.18 0.00 99.81 0.04 0.01 0.09 99.73 0.12 0.00 0.00 0.00 55 L H H 21.20 19.84 21.65 40.55 91.91 49.82 -64.89 -42.31 0.14 0.00 99.85 0.02 0.01 0.08 99.84 0.04 0.00 0.00 0.00 56 A H H 20.77 15.57 22.13 37.64 91.34 51.60 -63.19 -41.79 0.07 0.00 99.93 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 57 A H H 40.87 7.10 24.85 32.53 91.38 51.24 -63.79 -42.20 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 58 V H H 30.25 14.65 23.52 38.05 91.62 49.99 -64.35 -42.49 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 59 I H H 16.73 21.30 21.75 42.14 91.51 49.81 -64.55 -42.08 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 60 E H H 74.96 11.60 23.80 35.11 91.39 51.46 -63.20 -41.48 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 61 Y H H 98.91 7.72 25.11 32.79 91.76 49.63 -64.88 -41.84 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 62 L H H 21.68 17.75 22.31 39.68 91.59 49.52 -65.25 -42.20 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 63 T H H 20.73 18.71 21.59 39.54 91.62 50.89 -63.85 -41.62 0.14 0.00 99.86 0.01 0.00 0.10 99.87 0.01 0.00 0.00 0.00 64 A H H 40.97 7.72 23.84 32.03 91.57 51.45 -64.01 -41.37 0.19 0.00 99.81 0.01 0.01 0.13 99.83 0.02 0.00 0.00 0.00 65 K H H 88.99 7.89 25.12 33.08 91.93 49.17 -65.46 -41.05 0.30 0.00 99.70 0.02 0.01 0.23 99.69 0.05 0.00 0.00 0.00 66 V H H 11.11 21.09 20.30 41.02 91.47 49.71 -64.19 -43.37 0.33 0.00 99.66 0.04 0.02 0.22 99.64 0.07 0.00 0.00 0.00 67 L H H 45.70 15.73 21.87 36.84 91.73 50.23 -63.68 -41.85 0.46 0.00 99.54 0.07 0.03 0.30 99.43 0.18 0.00 0.00 0.00 68 E H H 105.43 3.88 25.70 29.24 91.56 50.56 -64.31 -41.77 1.46 0.01 98.53 0.16 0.09 1.08 98.25 0.41 0.00 0.00 0.00 69 L H H 45.79 10.31 22.83 33.72 91.76 48.40 -65.27 -41.46 4.04 0.02 95.94 0.40 0.29 3.11 95.56 0.63 0.01 0.01 0.01 70 A H H 9.61 18.32 18.27 36.97 91.96 50.63 -65.10 -40.34 10.46 0.08 89.46 1.48 1.14 7.47 88.86 0.94 0.03 0.03 0.04 71 G H H 22.21 10.46 20.47 31.53 93.40 53.27 -62.91 -43.35 20.07 0.25 79.68 4.53 2.71 12.98 77.53 1.95 0.07 0.11 0.13 72 N H H 91.45 2.72 23.76 25.30 93.00 46.40 -66.86 -40.57 14.96 0.36 84.68 4.51 3.01 8.31 80.70 3.01 0.12 0.18 0.16 73 E H H 68.13 7.11 19.40 27.45 92.80 49.63 -66.42 -40.64 12.29 0.63 87.07 4.33 2.25 6.63 82.25 3.81 0.12 0.41 0.20 74 A H H 13.96 13.95 12.43 27.74 92.40 51.54 -64.92 -40.90 13.73 1.16 85.12 6.59 2.36 6.00 79.51 4.31 0.08 0.84 0.31 75 Q H H 114.33 3.65 15.34 20.07 93.31 51.78 -66.25 -38.84 17.00 1.05 81.95 7.07 2.73 8.24 76.77 4.07 0.08 0.73 0.32 76 N H H 125.99 1.17 14.68 15.24 94.31 49.73 -71.46 -28.59 26.40 0.81 72.80 5.80 4.47 17.24 67.88 3.59 0.20 0.45 0.36 77 S C T 68.03 4.04 12.27 17.61 97.34 45.42 -91.38 -2.18 62.74 0.53 36.72 5.91 8.80 46.47 34.87 3.28 0.08 0.21 0.36 78 G C T 62.11 1.21 14.02 15.27 95.61 -113.90 77.79 10.92 95.67 0.40 3.94 16.09 17.98 61.96 1.76 1.81 0.00 0.21 0.19 79 E C C 84.63 7.88 11.03 20.57 121.78 126.17 -100.63 145.18 94.08 1.95 3.98 62.77 22.54 8.79 1.29 2.59 0.00 0.92 1.11 80 R C C 166.29 3.74 15.84 21.14 99.53 -156.22 -92.58 -6.09 93.22 3.45 3.33 62.81 23.24 7.27 1.21 2.13 0.00 2.02 1.32 81 N C C 76.49 6.69 21.60 28.91 131.86 56.71 -127.63 154.44 91.02 7.19 1.79 52.50 36.00 3.04 1.01 0.87 0.00 4.10 2.48 82 I C C 18.38 22.87 13.07 35.89 110.90 -114.43 -86.69 121.97 87.92 10.94 1.14 72.47 13.33 0.81 0.87 0.40 0.00 3.95 8.18 83 T C C 46.58 7.03 23.88 31.19 129.00 -172.05 -107.68 162.73 98.81 0.45 0.74 95.88 2.83 0.11 0.78 0.04 0.00 0.14 0.23 84 P H H 55.79 14.19 15.85 30.19 90.85 -105.10 -58.30 -37.10 4.30 0.02 95.68 0.69 0.51 2.85 94.18 1.75 0.00 0.01 0.01 85 L H H 100.56 3.04 22.31 25.16 91.32 54.66 -63.44 -39.43 1.98 0.01 98.02 0.25 0.15 1.38 96.52 1.69 0.00 0.00 0.00 86 L H H 27.62 14.49 18.52 33.67 92.08 49.71 -64.92 -41.78 0.73 0.00 99.26 0.13 0.06 0.44 97.63 1.72 0.00 0.00 0.00 87 L H H 9.30 22.76 16.79 39.35 91.53 50.46 -63.28 -42.84 1.02 0.00 98.98 0.18 0.08 0.66 98.19 0.88 0.00 0.00 0.00 88 D H H 63.49 9.49 21.70 31.47 91.34 50.98 -63.65 -40.95 4.45 0.01 95.54 0.31 0.18 3.80 95.16 0.53 0.00 0.00 0.00 89 M H H 79.80 4.65 23.34 27.94 91.81 50.33 -64.87 -42.11 2.22 0.01 97.77 0.44 0.24 1.42 97.34 0.54 0.00 0.00 0.01 90 V H H 16.14 15.44 18.40 34.71 92.13 49.32 -64.74 -42.67 1.64 0.02 98.34 0.27 0.15 1.11 97.44 1.02 0.00 0.01 0.01 91 V H H 17.28 19.00 16.14 34.96 92.97 47.30 -66.82 -40.22 2.56 0.02 97.42 0.25 0.19 1.97 95.97 1.59 0.01 0.01 0.01 92 H H H 108.25 6.17 18.89 25.76 93.15 50.69 -71.67 -28.27 10.88 0.02 89.10 0.37 0.48 9.99 88.11 1.03 0.02 0.01 0.01 93 N H H 106.34 3.30 18.60 22.09 98.31 40.33 -96.87 -5.14 48.35 0.11 51.54 2.32 3.63 40.67 52.05 1.18 0.03 0.03 0.08 94 D C C 36.00 15.91 10.10 25.80 110.22 85.95 -105.07 108.09 97.98 0.84 1.18 85.16 11.87 0.70 1.02 0.21 0.00 0.22 0.83 95 R H H 167.41 2.06 17.12 19.95 93.30 -162.82 -64.15 -34.19 12.08 0.05 87.87 1.00 1.92 9.24 82.44 5.31 0.04 0.02 0.03 96 L H H 77.34 6.52 18.06 25.56 92.10 53.75 -65.16 -41.07 9.14 0.04 90.83 0.46 0.69 8.11 84.35 6.31 0.04 0.02 0.02 97 L H H 10.78 21.13 13.79 34.83 93.07 46.24 -68.06 -40.78 4.26 0.03 95.71 0.43 0.33 3.30 88.35 7.55 0.01 0.02 0.01 98 S H H 35.22 11.64 15.60 28.21 91.56 55.36 -62.97 -39.45 2.50 0.02 97.48 0.34 0.20 1.71 88.68 9.04 0.00 0.01 0.00 99 T H H 86.91 2.00 21.32 21.99 92.04 51.81 -66.00 -37.86 8.95 0.03 91.03 0.38 0.41 7.71 76.97 14.49 0.02 0.02 0.01 100 L H H 50.98 12.19 17.05 29.79 92.59 51.66 -68.93 -34.66 14.10 0.04 85.86 0.55 0.79 12.46 75.61 10.49 0.05 0.02 0.03 101 F H H 29.71 19.72 12.50 31.65 98.28 46.60 -91.97 -5.96 37.45 1.23 61.32 8.25 6.78 23.60 51.99 7.79 0.25 0.57 0.77 102 N C T 98.40 5.77 16.26 23.48 96.93 115.81 -63.19 -35.87 70.87 1.52 27.61 17.05 8.84 44.09 22.56 5.89 0.03 0.79 0.75 103 T C T 102.18 2.91 16.14 19.53 98.74 36.53 -89.46 -2.18 71.70 2.37 25.92 16.14 13.46 41.66 19.84 6.51 0.07 1.42 0.89 104 T C C 53.26 12.32 11.77 24.53 116.23 92.70 -93.83 138.84 71.48 7.84 20.68 46.14 17.25 7.78 16.85 4.82 0.08 5.01 2.09 105 T C C 77.91 7.22 16.35 24.40 110.27 -154.51 -90.68 111.86 55.81 21.17 23.01 43.09 7.02 4.99 18.70 5.22 0.08 16.28 4.61 106 I C C 73.40 12.98 14.11 26.93 103.60 78.63 -87.17 -22.04 41.08 23.84 35.09 28.39 6.91 6.53 23.24 11.82 0.19 19.78 3.14 107 S C C 53.42 10.08 15.13 25.69 104.60 77.10 -85.80 15.88 45.39 21.07 33.54 29.32 8.39 8.83 19.18 13.69 0.16 18.14 2.30 108 Q C C 105.06 7.20 16.75 24.63 104.88 69.24 -87.60 10.31 52.03 18.74 29.23 29.26 12.54 11.98 15.88 12.57 0.23 14.86 2.68 109 V C C 62.98 11.56 13.51 25.65 112.64 84.72 -99.15 110.54 61.59 18.73 19.69 34.07 18.99 9.56 12.53 7.00 0.27 11.45 6.13 110 A C C 43.01 9.62 12.32 23.35 116.92 -132.02 -87.91 140.96 91.12 6.74 2.14 65.02 23.88 2.41 1.06 1.07 0.00 4.45 2.12 111 P C C 87.37 5.21 12.18 19.02 109.68 -102.51 -64.96 142.25 89.40 2.55 8.05 38.65 13.67 37.71 1.77 5.81 0.00 1.58 0.80 112 G C T 58.28 2.23 12.07 15.38 100.96 12.44 64.31 1.47 91.03 1.88 7.09 38.13 13.67 39.71 1.25 5.47 0.00 1.04 0.72 113 E C C 123.51 4.51 8.74 15.01 105.32 98.15 -84.85 41.63 92.08 1.17 6.75 82.54 2.73 7.40 1.22 4.87 0.00 0.68 0.55 114 D C C 110.92 2.92 11.80 16.31 106.58 -129.13 -85.12 90.77 99.86 0.07 0.06 99.52 0.21 0.19 0.02 0.01 0.00 0.04 0.02