# 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 107.19 7.57 12.50 21.28 114.26 -153.70 -93.84 128.26 99.64 0.34 0.02 99.55 0.16 0.06 0.01 0.00 0.00 0.18 0.04 1 T C C 83.30 5.98 11.23 18.82 117.62 -160.08 -98.64 140.80 90.30 8.75 0.95 88.05 1.48 1.41 0.42 0.37 0.00 4.48 3.80 2 K C C 144.95 3.37 12.63 17.67 112.95 -137.28 -91.80 130.18 87.33 10.06 2.61 54.18 21.92 11.55 0.82 1.84 0.00 5.86 3.82 3 G C C 37.45 8.51 11.77 21.18 121.48 -113.23 96.79 171.70 87.71 8.24 4.05 39.73 34.42 14.39 1.16 2.69 0.00 5.12 2.49 4 T C C 71.69 8.37 13.28 22.60 116.34 -82.06 -94.55 141.31 79.06 12.77 8.17 55.09 17.04 6.36 2.96 5.39 0.01 7.00 6.15 5 T C G 90.15 5.78 15.00 21.97 102.81 -143.68 -84.25 -2.99 54.74 9.08 36.18 29.26 12.62 14.62 5.08 30.18 0.03 6.25 1.95 6 S C G 63.31 7.36 15.40 23.55 103.48 63.48 -91.08 1.54 53.25 9.47 37.27 20.71 14.36 21.01 5.29 29.89 0.07 6.86 1.82 7 F C G 87.57 11.04 13.56 25.23 115.08 70.93 -102.06 124.18 49.47 16.59 33.94 23.88 13.41 15.83 6.32 25.20 0.15 11.92 3.30 8 G C C 25.50 8.87 14.57 24.65 129.17 92.47 125.30 177.54 66.04 28.37 5.59 42.71 17.74 6.88 2.11 3.52 0.06 22.24 4.74 9 K E E 129.30 4.54 13.81 20.11 121.19 -82.82 -106.05 138.15 44.90 51.45 3.65 32.42 9.18 3.72 1.63 2.35 0.09 41.83 8.79 10 R E E 117.40 8.15 9.61 19.05 118.50 -162.34 -123.57 123.71 34.77 56.58 8.65 15.16 10.82 13.06 2.32 6.22 0.46 39.39 12.56 11 N C T 135.77 1.29 12.01 13.72 93.66 -12.14 53.73 40.38 92.95 1.78 5.26 6.58 13.13 72.51 0.52 5.41 0.00 1.37 0.48 12 G C T 64.07 1.06 11.90 13.01 95.97 -49.83 80.15 3.36 95.40 1.23 3.37 6.68 19.17 69.20 0.30 3.42 0.00 0.93 0.28 13 R E E 122.39 4.69 11.72 18.48 124.02 107.42 -109.38 147.16 37.87 60.96 1.16 20.47 15.79 3.60 0.49 0.87 0.05 45.07 13.68 14 T C E 72.41 7.39 14.33 23.15 116.91 -128.66 -92.51 135.00 50.87 48.53 0.59 41.34 7.06 1.63 0.19 0.54 0.00 43.19 6.06 15 H C C 49.22 14.34 13.78 28.71 126.21 -160.08 -117.95 146.37 70.09 29.44 0.47 59.68 8.10 1.51 0.11 0.44 0.00 27.64 2.52 16 K C C 81.77 10.03 20.26 30.80 117.66 -149.33 -105.04 131.92 62.55 36.99 0.46 48.12 13.22 1.36 0.12 0.40 0.00 33.74 3.05 17 L E B 53.59 11.95 18.97 31.60 119.17 -127.24 -93.16 137.65 19.35 80.28 0.37 14.84 2.21 0.14 0.35 0.10 0.00 34.09 48.26 18 C C C 10.29 19.23 12.98 33.07 109.68 -117.14 -75.42 124.89 79.78 20.00 0.22 79.18 1.32 0.15 0.10 0.09 0.00 14.09 5.08 19 K C T 112.95 6.86 19.07 27.05 94.09 -153.37 -69.42 -26.39 97.90 0.49 1.61 1.89 6.83 89.20 0.10 1.46 0.00 0.34 0.17 20 R C T 123.37 6.81 17.76 25.32 98.28 48.45 -79.85 -38.35 98.38 0.23 1.39 0.30 3.93 94.51 0.06 1.01 0.00 0.12 0.06 21 C C T 52.00 8.67 15.18 25.23 101.77 22.47 -106.68 -12.65 98.71 0.21 1.08 0.59 4.29 94.04 0.05 0.85 0.00 0.12 0.06 22 G C C 37.44 6.77 16.37 24.45 96.60 -115.22 84.76 5.45 98.03 1.48 0.49 66.24 16.84 14.93 0.11 0.42 0.00 0.83 0.64 23 K C C 83.30 8.89 16.43 26.61 118.98 134.31 -81.43 147.34 90.28 9.46 0.25 72.60 16.29 1.38 0.06 0.22 0.00 7.04 2.40 24 R E E 116.93 10.07 19.18 29.64 118.42 -130.00 -96.39 134.37 24.16 75.39 0.45 18.18 2.93 0.28 0.35 0.18 0.00 44.59 33.49 25 S E E 19.19 15.98 17.50 33.85 133.61 136.49 -134.97 155.71 46.74 52.95 0.31 39.97 5.75 0.62 0.08 0.26 0.00 51.35 1.96 26 W E E 76.70 12.25 19.17 32.22 124.86 -143.39 -120.01 140.43 33.02 66.12 0.86 24.71 7.52 1.05 0.41 0.51 0.00 55.61 10.19 27 A E E 25.22 12.15 16.24 29.84 113.30 -130.74 -88.85 128.41 36.56 62.19 1.25 28.79 5.40 1.69 0.69 0.75 0.00 49.14 13.54 28 V C T 74.82 9.46 15.19 25.66 94.89 -146.60 -70.18 -29.89 80.14 6.54 13.32 10.44 13.88 55.74 1.40 12.23 0.02 5.10 1.20 29 Q C T 120.21 3.01 16.49 19.80 98.83 45.61 -85.30 -32.53 81.24 4.57 14.19 8.42 12.99 59.40 2.33 12.36 0.01 3.33 1.16 30 K C T 100.02 6.38 16.36 23.28 111.94 17.60 -120.70 112.04 81.94 3.66 14.39 14.63 12.66 54.49 2.51 12.17 0.02 2.54 0.99 31 K C T 99.67 11.83 15.64 27.58 99.37 -137.60 -60.46 44.94 85.89 10.86 3.25 26.81 13.16 46.73 0.92 2.19 0.01 8.95 1.24 32 R E B 98.55 7.00 21.57 29.61 132.46 122.55 -128.43 152.31 18.66 80.85 0.49 14.01 2.90 0.44 0.35 0.20 0.01 40.53 41.55 33 C E C 12.92 19.43 13.83 33.93 110.71 -108.70 -73.38 131.30 46.36 53.50 0.13 45.13 1.03 0.11 0.07 0.06 0.00 37.25 16.35 34 A C T 47.72 10.00 18.61 29.68 93.60 -143.37 -68.14 -27.34 99.11 0.32 0.57 0.95 3.94 94.40 0.02 0.42 0.00 0.19 0.08 35 A C T 62.22 7.07 19.71 27.33 97.94 47.73 -81.34 -38.34 99.48 0.10 0.42 0.09 1.78 97.82 0.01 0.24 0.00 0.04 0.02 36 C C T 53.05 8.56 17.42 27.16 102.72 20.49 -109.13 -11.15 99.46 0.15 0.39 0.29 2.94 96.40 0.01 0.25 0.00 0.07 0.04 37 G C C 31.62 9.09 17.71 27.72 95.82 -115.88 82.64 5.75 96.26 3.57 0.18 77.02 12.13 7.05 0.07 0.11 0.00 1.55 2.07 38 Y C C 71.38 11.32 15.39 28.01 117.10 141.23 -77.76 139.96 91.26 8.63 0.12 76.84 14.50 0.37 0.04 0.09 0.00 4.39 3.77 39 P C C 61.57 9.48 17.04 27.30 111.24 -104.19 -67.31 149.24 56.74 42.43 0.83 39.80 13.50 0.83 0.49 0.36 0.00 9.45 35.56 40 N C C 60.26 8.99 14.32 24.67 117.46 -102.35 -88.45 141.27 96.96 2.13 0.90 88.03 7.95 0.90 0.29 0.60 0.00 1.11 1.12 41 P C G 87.89 6.73 12.96 21.15 93.53 -132.79 -64.31 -25.65 50.70 1.49 47.81 12.61 9.97 28.01 6.86 41.13 0.01 0.84 0.58 42 K C G 147.16 2.03 14.26 17.03 95.44 65.97 -74.43 -21.45 48.77 3.12 48.11 9.94 9.82 29.91 7.86 39.28 0.05 2.15 0.98 43 M H G 100.51 6.74 12.23 20.32 99.53 49.50 -87.48 3.05 45.84 7.42 46.74 22.26 10.46 15.62 8.57 36.06 0.04 5.05 1.94 44 R C C 100.61 11.66 10.19 22.11 112.84 94.91 -88.76 124.35 78.90 9.06 12.04 58.21 13.12 6.75 6.66 5.67 0.01 5.46 4.11 45 S C C 74.06 3.64 15.52 20.34 119.39 -145.16 -110.50 138.28 83.13 9.12 7.75 60.29 14.08 8.22 4.39 3.57 0.01 5.56 3.89 46 F C C 108.26 9.40 10.79 21.08 111.33 -140.54 -95.91 115.60 84.84 5.70 9.46 47.92 24.65 12.47 6.05 3.34 0.01 3.28 2.27 47 N C C 96.84 4.54 13.29 19.12 106.47 -150.78 -101.51 82.95 85.57 3.25 11.18 57.55 15.69 11.99 8.22 3.17 0.01 1.64 1.74 48 W C C 141.41 7.08 11.16 19.55 98.95 160.61 -85.48 -9.13 67.73 1.87 30.40 37.81 14.76 14.99 26.69 3.97 0.02 0.82 0.93 49 S C H 52.86 4.99 12.59 19.05 112.49 83.55 -80.04 149.60 49.68 1.18 49.15 28.63 12.72 9.14 45.48 2.97 0.02 0.48 0.55 50 E H H 124.94 2.47 13.92 17.11 94.12 -89.55 -63.67 -37.19 9.53 0.32 90.15 4.02 2.22 4.10 86.22 3.13 0.03 0.19 0.09 51 K H H 114.58 3.29 14.66 18.85 92.73 52.93 -65.79 -39.39 6.84 0.40 92.76 2.91 1.19 3.36 88.41 3.71 0.03 0.31 0.08 52 A H H 28.65 8.74 11.74 22.61 92.74 51.77 -65.53 -39.69 6.35 0.42 93.24 2.77 1.07 3.03 88.83 3.85 0.03 0.34 0.07 53 K H H 111.06 3.95 15.53 20.42 92.50 51.93 -65.65 -39.23 8.95 0.61 90.44 3.58 1.53 4.56 86.65 3.06 0.05 0.45 0.13 54 R H H 134.83 2.55 15.95 18.76 93.11 50.67 -66.93 -37.06 15.12 0.89 83.99 5.50 2.62 8.07 80.21 2.70 0.09 0.55 0.26 55 R H H 111.19 7.05 14.00 22.25 94.59 54.42 -69.93 -34.51 21.69 1.07 77.24 9.72 3.95 9.45 73.00 2.84 0.07 0.58 0.39 56 N H H 89.70 6.72 14.45 22.10 97.43 53.34 -77.01 -21.62 29.21 1.09 69.69 12.39 4.82 13.20 64.97 3.51 0.08 0.59 0.44 57 T H H 82.82 4.14 15.65 20.43 99.56 52.19 -85.31 -28.79 37.40 1.12 61.48 11.66 8.35 18.74 56.67 3.41 0.14 0.52 0.54 58 M H H 101.15 5.42 15.12 21.36 101.60 46.61 -89.34 -17.79 48.87 1.57 49.56 13.69 16.07 20.23 45.89 2.50 0.15 0.57 0.89 59 G C C 29.56 8.28 14.47 23.96 115.22 -127.87 75.38 -143.46 78.11 1.29 20.60 44.05 15.51 17.64 18.76 2.81 0.00 0.55 0.67 60 T H H 74.24 5.46 15.99 22.18 98.50 -46.80 -73.88 -29.82 48.98 1.28 49.74 27.05 11.66 11.29 45.71 3.11 0.03 0.50 0.63 61 G H H 31.12 6.63 16.52 24.25 95.80 53.93 -59.85 -42.06 29.42 0.68 69.90 12.58 7.58 11.12 63.90 4.13 0.06 0.31 0.32 62 R H H 103.39 8.56 15.92 25.04 93.05 53.41 -65.96 -39.79 15.04 0.47 84.48 7.71 2.63 5.70 79.22 4.28 0.03 0.27 0.17 63 M H H 86.62 5.92 16.64 23.57 92.52 52.24 -65.48 -39.63 7.74 0.25 92.01 3.70 1.23 3.28 86.79 4.76 0.02 0.16 0.06 64 R H H 128.31 3.28 18.25 21.83 92.21 51.71 -65.15 -40.76 6.58 0.17 93.25 2.17 0.90 3.55 88.29 4.91 0.02 0.11 0.04 65 H H H 77.70 7.89 16.69 25.48 92.42 49.93 -66.04 -40.19 8.49 0.17 91.34 2.17 1.06 5.31 86.78 4.50 0.03 0.11 0.05 66 M H H 72.92 8.74 16.28 25.86 92.20 52.90 -64.98 -40.31 7.25 0.11 92.63 2.73 1.10 3.54 90.13 2.39 0.01 0.06 0.03 67 K H H 109.18 3.57 18.47 22.42 92.03 52.24 -64.99 -39.98 8.23 0.09 91.68 1.98 0.95 5.23 90.36 1.38 0.01 0.05 0.03 68 N H H 73.85 4.88 18.11 23.69 92.47 50.03 -66.01 -40.45 4.74 0.10 95.16 1.37 0.75 2.75 94.08 0.97 0.01 0.05 0.03 69 V H H 50.17 9.00 15.84 25.97 92.23 51.27 -63.99 -42.64 1.24 0.03 98.73 0.49 0.18 0.52 98.39 0.40 0.00 0.02 0.00 70 L H H 79.46 5.15 17.09 23.09 92.00 50.12 -64.16 -41.02 0.94 0.03 99.03 0.28 0.10 0.50 98.63 0.47 0.00 0.02 0.00 71 K H H 107.43 2.81 17.23 20.14 92.42 50.05 -65.00 -41.02 1.11 0.03 98.87 0.24 0.11 0.69 98.35 0.59 0.00 0.02 0.00 72 K H H 87.35 5.74 14.82 21.90 92.49 50.11 -65.59 -40.37 1.86 0.02 98.12 0.32 0.15 1.26 97.61 0.65 0.00 0.01 0.00 73 A H H 51.40 6.43 13.25 20.96 93.09 50.44 -67.54 -37.88 6.08 0.04 93.88 0.84 0.46 4.44 93.37 0.85 0.01 0.02 0.02 74 A H H 73.52 2.55 14.10 17.08 94.06 51.85 -70.52 -30.33 18.87 0.10 81.03 2.02 1.67 14.52 80.64 1.02 0.04 0.03 0.06 75 V C H 85.86 3.50 12.22 16.83 100.61 46.78 -92.62 -2.99 49.88 0.75 49.37 12.35 10.10 27.53 47.20 2.02 0.08 0.25 0.47 76 R C T 160.08 3.54 11.90 17.01 98.81 -131.01 41.55 24.14 65.61 1.47 32.92 24.81 9.89 31.42 20.41 11.93 0.02 0.78 0.74 77 Q C C 109.71 4.36 11.38 17.23 102.47 111.86 -81.94 20.10 63.88 3.68 32.44 29.29 11.73 23.61 16.45 15.26 0.03 2.20 1.43 78 R C C 128.44 6.24 10.51 18.07 104.47 93.04 -91.77 51.64 67.66 4.15 28.19 43.32 9.01 15.23 14.57 13.71 0.01 2.49 1.66 79 Q C T 115.19 4.61 11.55 17.69 107.83 111.53 -82.82 108.44 77.36 2.88 19.76 30.53 12.58 34.87 12.12 7.04 0.02 1.54 1.29 80 D C T 109.59 3.43 12.39 16.72 100.69 22.51 -62.90 21.15 83.83 1.40 14.77 27.15 18.17 39.19 8.22 5.87 0.01 0.71 0.68 81 Q C C 105.33 5.48 10.99 18.00 107.17 125.51 -87.99 94.62 85.22 3.07 11.72 54.81 23.13 7.08 8.31 3.62 0.01 1.49 1.56 82 V C C 95.52 4.52 12.56 18.44 113.73 -120.48 -94.51 132.17 81.37 5.28 13.35 61.12 14.82 4.33 11.76 2.43 0.00 2.42 3.12 83 A C C 49.20 8.88 10.07 20.26 113.55 -115.97 -74.47 147.08 82.04 1.38 16.58 69.54 8.93 2.67 16.05 1.54 0.00 0.67 0.61 84 P C C 83.51 4.44 12.32 18.16 108.35 -107.66 -68.27 148.22 69.57 0.93 29.50 59.90 4.48 4.36 27.71 2.71 0.00 0.49 0.35 85 H C H 131.40 3.60 11.57 16.50 105.96 -105.24 -75.86 102.23 50.91 1.75 47.34 38.06 6.25 6.93 41.57 5.56 0.00 1.00 0.63 86 Q H H 112.31 4.79 10.36 16.67 107.31 54.42 -83.91 96.93 41.43 2.25 56.32 29.58 6.74 6.45 49.15 6.01 0.01 1.35 0.69 87 K H H 135.62 3.45 11.20 16.04 107.17 56.69 -88.06 85.62 39.05 2.34 58.61 28.72 6.21 5.48 52.54 4.94 0.01 1.47 0.63 88 R H H 147.56 3.80 11.00 16.21 110.48 56.22 -87.65 122.88 38.03 2.09 59.88 27.88 5.48 5.67 55.28 3.83 0.01 1.27 0.57 89 K H H 127.86 3.85 11.39 16.63 112.06 -140.03 -84.01 134.22 40.04 1.70 58.26 28.00 6.12 6.52 54.68 3.20 0.01 0.96 0.50 90 T H H 82.52 4.19 11.36 16.81 109.27 -129.99 -86.82 130.75 44.00 1.44 54.56 30.42 6.56 6.92 52.10 2.77 0.01 0.75 0.47 91 A H H 67.62 3.87 10.91 16.15 99.34 -123.81 -71.92 -33.18 42.41 1.10 56.49 27.72 7.69 7.12 53.61 2.93 0.01 0.53 0.39 92 E H H 122.01 2.58 12.02 15.45 97.11 56.32 -71.53 -35.41 42.16 0.92 56.92 26.23 7.79 8.04 54.02 3.15 0.01 0.46 0.31 93 N H H 90.26 3.83 11.71 16.78 97.46 53.80 -73.23 -29.60 44.44 0.99 54.58 30.00 6.08 8.09 51.55 3.43 0.01 0.52 0.32 94 R H H 136.87 4.57 11.68 17.42 95.59 57.90 -69.35 -33.89 37.02 1.30 61.67 24.74 6.13 6.95 57.25 3.81 0.01 0.73 0.37 95 K H H 130.80 2.63 13.05 16.47 95.35 54.58 -70.33 -35.68 36.86 2.04 61.10 25.18 5.75 6.72 56.83 3.73 0.01 1.29 0.49 96 K H H 126.25 2.79 13.58 17.13 95.38 54.22 -69.26 -37.86 38.13 2.77 59.10 25.24 6.51 6.95 55.17 3.61 0.02 1.92 0.58 97 F H H 110.37 5.11 12.65 18.84 96.04 52.96 -71.18 -36.36 36.99 4.40 58.61 25.61 5.98 6.20 54.78 3.37 0.03 3.12 0.92 98 A H H 60.10 4.40 12.99 18.69 96.73 56.67 -68.76 -37.77 42.99 4.21 52.80 30.51 6.03 6.22 50.44 2.95 0.01 3.06 0.78 99 L H H 97.41 4.13 12.73 17.90 96.97 54.45 -73.12 -31.76 47.33 5.05 47.62 32.82 6.91 7.15 45.30 3.12 0.02 3.75 0.93 100 S C H 66.17 3.67 12.76 17.56 99.69 61.37 -74.60 -22.27 52.98 5.16 41.86 38.19 6.99 6.51 40.77 2.72 0.01 3.85 0.96 101 R C H 140.71 4.04 12.39 17.61 100.50 65.37 -76.66 -20.00 51.48 6.12 42.40 37.70 6.75 5.77 41.51 2.52 0.01 4.74 1.00 102 K C H 121.22 4.39 12.52 18.06 99.62 65.93 -75.93 -25.99 48.71 6.44 44.85 37.10 5.76 4.50 44.23 2.25 0.01 5.29 0.87 103 T H H 78.76 3.81 13.03 17.95 99.66 59.71 -74.90 -35.54 43.14 6.91 49.96 33.08 4.91 4.09 49.06 2.15 0.01 5.92 0.79 104 K H H 119.07 3.10 14.61 18.36 96.15 55.34 -70.51 -37.48 35.54 7.35 57.12 27.56 3.88 3.77 55.31 2.18 0.01 6.56 0.72 105 L H H 81.85 5.29 13.08 19.66 95.11 53.44 -68.13 -39.90 31.52 5.43 63.06 25.10 3.05 3.65 60.60 2.24 0.01 4.81 0.54 106 A H H 56.15 4.10 13.85 19.13 93.85 52.21 -66.46 -39.80 26.80 3.07 70.13 20.92 2.89 3.84 66.99 2.41 0.01 2.57 0.39 107 K H H 121.81 2.21 15.44 17.71 93.12 51.16 -66.54 -39.27 22.42 2.16 75.42 15.51 3.27 4.75 71.79 2.59 0.01 1.73 0.34 108 D H H 76.44 3.67 14.74 19.28 93.22 50.82 -67.17 -38.02 23.02 1.58 75.40 16.15 3.03 4.84 72.25 2.32 0.01 1.11 0.30 109 A H H 52.04 4.62 13.16 19.21 92.87 53.76 -65.28 -40.14 18.05 1.04 80.91 12.67 2.63 4.05 77.74 2.01 0.01 0.67 0.21 110 K H H 120.84 2.14 14.92 17.21 92.72 51.40 -65.88 -40.37 13.96 0.96 85.08 8.85 2.17 4.04 82.03 2.05 0.01 0.67 0.19 111 K H H 115.69 2.30 14.40 17.02 92.80 50.96 -66.02 -40.14 14.14 0.87 84.99 8.69 2.21 4.35 81.63 2.32 0.02 0.60 0.18 112 A H H 55.09 3.22 12.09 16.73 92.55 51.53 -65.30 -40.10 14.36 0.79 84.85 8.74 2.22 4.57 80.91 2.84 0.01 0.53 0.18 113 E H H 121.18 1.85 12.46 14.78 92.84 51.05 -66.84 -37.31 17.44 0.69 81.87 8.60 2.71 6.94 77.91 3.18 0.02 0.43 0.21 114 A H H 75.55 1.81 10.64 13.24 93.60 53.97 -68.81 -32.08 28.62 0.56 70.81 10.38 4.10 14.61 67.53 2.82 0.03 0.28 0.24 115 A C H 80.14 2.06 8.98 12.28 96.49 57.49 -76.19 -17.51 53.34 0.62 46.05 27.22 1.91 23.07 45.13 2.06 0.00 0.26 0.34 116 Q C C 130.65 2.56 10.80 14.80 102.58 80.61 -80.08 30.86 99.65 0.06 0.29 98.93 0.24 0.52 0.24 0.02 0.00 0.03 0.02