# 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 111.17 6.76 12.31 20.26 112.67 -158.94 -90.75 126.92 99.88 0.09 0.03 99.80 0.08 0.05 0.01 0.00 0.00 0.04 0.01 1 A C C 74.06 4.94 10.09 16.63 112.69 -146.97 -85.59 135.42 93.33 3.06 3.61 84.58 1.70 7.67 1.74 1.16 0.00 1.84 1.31 2 S C C 77.76 3.85 9.84 15.47 115.84 -142.10 -92.89 138.79 91.38 3.26 5.36 58.64 21.41 11.43 2.84 2.34 0.00 1.67 1.66 3 R C C 143.72 5.32 10.26 17.16 115.23 -126.73 -91.65 137.40 84.72 1.93 13.35 62.90 17.47 4.18 10.88 2.75 0.00 0.87 0.96 4 P C C 84.04 5.02 11.74 18.37 111.03 -107.94 -70.01 146.62 71.78 1.42 26.80 58.48 6.13 7.18 19.93 6.91 0.00 0.81 0.56 5 A C C 70.69 4.75 11.88 18.08 107.25 -108.21 -76.10 116.36 61.90 2.48 35.63 44.34 8.55 9.10 26.10 9.52 0.01 1.44 0.94 6 V C C 84.71 6.72 10.87 18.99 110.85 -134.09 -90.19 116.18 55.27 4.84 39.88 38.85 8.95 8.06 30.63 8.91 0.04 2.92 1.63 7 A C C 64.60 5.41 11.77 18.73 111.07 -149.90 -88.14 128.31 56.95 3.85 39.20 38.15 9.91 9.33 31.73 7.27 0.04 2.22 1.35 8 A C C 74.20 3.78 12.35 17.39 104.85 -136.12 -81.05 7.69 63.71 2.54 33.75 31.55 14.38 18.22 26.89 6.56 0.05 1.31 1.04 9 S C C 66.30 4.41 12.76 18.35 104.15 52.19 -85.99 -0.85 72.02 1.60 26.38 38.94 14.54 18.49 21.08 5.39 0.01 0.71 0.84 10 S C H 57.00 6.60 11.28 19.27 102.91 79.50 -76.91 -30.05 55.52 0.81 43.67 31.07 15.36 9.57 39.81 3.46 0.01 0.29 0.43 11 K H H 144.54 1.94 14.00 16.52 93.86 67.80 -65.83 -37.38 20.04 0.37 79.59 7.32 4.57 9.60 72.41 5.69 0.05 0.19 0.18 12 W H H 152.15 2.63 14.65 17.80 93.03 52.12 -66.59 -40.19 12.42 0.34 87.24 4.53 2.03 6.45 80.18 6.43 0.05 0.22 0.12 13 L H H 58.08 9.11 13.26 23.68 93.07 50.29 -66.21 -40.23 7.17 0.18 92.65 3.21 1.13 3.30 87.40 4.78 0.02 0.12 0.05 14 E H H 88.22 6.35 15.44 23.06 92.29 52.41 -64.42 -40.68 4.53 0.07 95.40 1.65 0.65 2.38 93.64 1.62 0.01 0.03 0.02 15 G H H 34.08 2.90 17.34 20.52 92.26 50.92 -63.69 -41.45 5.87 0.06 94.07 1.39 0.67 3.82 92.89 1.16 0.02 0.02 0.02 16 I H H 76.58 5.12 17.27 23.24 92.50 49.67 -65.89 -41.53 3.54 0.03 96.43 0.94 0.40 2.10 95.79 0.75 0.01 0.01 0.01 17 R H H 84.49 11.47 15.83 27.69 92.02 52.20 -63.57 -41.48 1.05 0.01 98.95 0.27 0.09 0.53 98.85 0.24 0.00 0.00 0.00 18 K H H 107.37 5.67 17.83 24.45 92.03 51.60 -63.55 -40.97 0.50 0.00 99.49 0.09 0.04 0.30 99.41 0.16 0.00 0.00 0.00 19 W H H 140.52 2.70 19.34 21.61 92.32 49.93 -64.92 -41.78 0.33 0.00 99.66 0.05 0.02 0.21 99.55 0.16 0.00 0.00 0.00 20 Y H H 82.09 8.89 17.33 27.18 92.40 49.00 -64.86 -41.92 0.46 0.00 99.54 0.06 0.03 0.31 99.37 0.22 0.00 0.00 0.00 21 Y H H 58.67 13.67 15.03 29.15 92.61 49.04 -64.69 -41.60 1.05 0.01 98.94 0.11 0.08 0.79 98.60 0.41 0.01 0.00 0.00 22 N H H 89.06 5.24 17.56 23.73 92.41 50.02 -65.52 -39.17 3.58 0.01 96.40 0.25 0.21 3.05 95.82 0.65 0.01 0.00 0.00 23 A H H 66.84 4.08 17.87 22.53 92.01 52.90 -68.42 -29.27 12.58 0.02 87.40 0.46 0.66 11.62 86.32 0.90 0.02 0.01 0.01 24 A C T 36.58 11.28 14.63 26.87 94.61 54.87 -83.00 -7.09 70.07 0.23 29.70 1.64 5.73 60.89 29.85 1.58 0.04 0.07 0.21 25 G C T 30.01 6.72 19.32 27.31 97.06 -114.01 80.39 9.49 89.86 0.25 9.88 9.48 7.29 72.92 7.74 2.27 0.00 0.10 0.21 26 F H H 29.70 19.11 13.41 32.55 94.28 126.95 -67.38 -36.20 30.40 0.39 69.20 7.14 4.59 17.47 41.29 28.98 0.09 0.18 0.25 27 N H G 72.42 12.17 16.34 28.48 92.25 58.88 -65.19 -29.99 18.66 0.34 81.00 2.29 1.93 12.63 38.47 44.26 0.09 0.19 0.14 28 K H G 145.63 2.44 20.14 22.73 91.71 56.62 -69.59 -24.60 20.04 0.26 79.70 1.51 1.90 14.49 38.59 43.08 0.15 0.14 0.14 29 L H G 57.29 12.76 16.01 29.16 94.39 54.22 -89.05 -4.13 40.85 0.44 58.71 2.07 5.26 31.15 29.02 31.69 0.21 0.21 0.39 30 G C T 31.05 7.86 21.01 29.89 100.29 -108.67 84.70 13.93 98.31 0.31 1.38 19.47 6.60 72.52 0.61 0.49 0.00 0.17 0.13 31 L C C 24.01 20.86 12.94 33.69 112.84 147.57 -84.96 128.98 94.33 2.27 3.40 88.77 3.56 1.99 1.77 1.32 0.00 1.00 1.58 32 M C C 68.79 9.87 19.85 30.00 123.86 -166.22 -104.33 152.36 85.63 3.25 11.11 74.61 6.16 4.49 5.45 5.23 0.00 1.25 2.80 33 R H G 120.22 11.83 16.15 27.85 93.71 -114.78 -62.19 -32.15 28.73 1.22 70.05 7.58 5.42 17.10 12.69 56.01 0.02 0.81 0.38 34 D H G 96.28 5.30 19.02 24.96 91.87 62.60 -74.02 -10.05 28.85 0.53 70.62 4.07 4.26 20.27 11.30 59.56 0.01 0.33 0.20 35 D H G 47.94 14.26 15.06 29.50 97.31 60.77 -92.58 1.82 32.15 0.89 66.96 10.68 6.62 15.60 9.86 56.37 0.01 0.51 0.34 36 T C C 38.17 16.05 14.35 30.28 121.28 91.41 -105.35 139.65 75.07 8.63 16.30 46.51 19.76 8.10 7.13 8.72 0.05 3.11 6.63 37 I C C 80.38 10.80 16.59 27.71 108.99 -146.02 -92.97 104.33 89.20 5.20 5.60 60.37 18.46 10.10 2.25 3.37 0.00 2.77 2.69 38 Y C C 120.33 7.53 16.79 25.15 115.21 -130.80 -102.50 124.28 95.95 1.62 2.43 82.10 7.35 6.59 0.93 1.30 0.00 0.92 0.80 39 E C C 94.21 12.28 12.05 24.56 115.02 -156.21 -104.55 122.12 98.35 0.73 0.92 88.56 8.15 1.67 0.47 0.34 0.00 0.31 0.50 40 D C C 59.63 5.58 14.26 21.46 130.27 164.24 -126.80 170.42 98.87 0.24 0.90 88.05 10.08 0.69 0.77 0.13 0.00 0.07 0.22 41 D H H 120.33 1.25 14.98 16.11 91.77 -97.36 -60.67 -34.74 6.66 0.01 93.33 1.09 1.33 3.94 93.02 0.61 0.00 0.00 0.01 42 D H H 84.42 4.32 16.06 21.34 92.46 51.83 -66.49 -38.93 3.96 0.01 96.03 0.53 0.41 2.80 95.67 0.57 0.00 0.00 0.00 43 V H H 14.99 18.97 11.88 30.78 92.61 48.51 -67.17 -41.53 1.09 0.00 98.91 0.27 0.12 0.59 98.61 0.41 0.00 0.00 0.00 44 K H H 92.25 7.82 17.44 26.21 91.40 52.86 -62.11 -41.88 0.36 0.00 99.64 0.09 0.04 0.17 99.51 0.19 0.00 0.00 0.00 45 E H H 96.62 2.12 20.83 21.62 91.67 50.28 -64.04 -41.59 0.40 0.00 99.60 0.06 0.03 0.25 99.39 0.26 0.00 0.00 0.00 46 A H H 17.85 12.49 16.39 30.45 92.21 50.76 -64.66 -41.35 0.76 0.00 99.24 0.06 0.04 0.57 98.80 0.53 0.00 0.00 0.00 47 I H H 29.74 17.99 14.28 32.03 92.05 51.12 -65.61 -35.63 2.33 0.00 97.67 0.10 0.10 2.08 94.90 2.81 0.00 0.00 0.00 48 R H H 161.77 2.52 18.75 21.89 90.87 58.87 -67.21 -25.19 27.41 0.02 72.57 0.32 0.47 28.36 67.68 3.13 0.01 0.00 0.01 49 R C T 150.84 3.22 17.21 20.88 93.61 56.59 -84.40 -10.12 63.12 0.03 36.85 0.81 1.70 61.29 33.23 2.93 0.00 0.01 0.03 50 L C S 27.09 19.19 7.12 24.80 121.69 97.61 -82.80 148.48 99.74 0.12 0.14 6.01 93.53 0.26 0.08 0.01 0.00 0.02 0.09 51 P C C 70.05 3.12 16.59 20.18 114.52 -101.95 -62.84 148.22 99.79 0.07 0.14 99.51 0.26 0.08 0.08 0.01 0.00 0.02 0.04 52 E H H 141.67 2.82 12.72 17.31 91.76 -110.60 -57.55 -38.18 6.94 0.01 93.05 0.50 0.62 5.58 87.26 6.01 0.01 0.00 0.01 53 N H H 112.32 1.77 16.24 17.99 91.81 54.66 -65.05 -37.51 6.74 0.01 93.25 0.29 0.37 5.97 86.63 6.73 0.01 0.00 0.00 54 L H H 42.82 11.97 14.31 27.25 92.83 48.13 -67.76 -39.57 3.63 0.01 96.36 0.36 0.25 2.75 90.05 6.58 0.00 0.01 0.00 55 Y H H 68.33 11.92 15.48 28.22 91.71 52.80 -62.57 -43.11 0.63 0.00 99.37 0.13 0.06 0.33 99.13 0.35 0.00 0.00 0.00 56 N H H 85.30 3.20 21.23 24.03 91.58 49.81 -64.54 -41.11 0.39 0.00 99.61 0.05 0.02 0.25 99.55 0.14 0.00 0.00 0.00 57 D H H 51.05 8.62 19.76 29.39 91.58 50.32 -64.89 -41.18 0.21 0.00 99.79 0.02 0.01 0.14 99.73 0.10 0.00 0.00 0.00 58 R H H 45.24 16.45 18.35 34.59 91.67 50.95 -64.24 -41.40 0.22 0.00 99.78 0.02 0.01 0.14 99.75 0.08 0.00 0.00 0.00 59 V H H 57.39 8.39 22.13 30.89 91.65 50.69 -64.09 -41.80 0.29 0.00 99.71 0.02 0.01 0.20 99.74 0.03 0.00 0.00 0.00 60 F H H 81.49 6.25 22.78 29.56 91.58 50.62 -63.75 -42.81 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 61 R H H 47.23 16.13 20.22 35.97 91.95 50.67 -64.01 -42.36 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 62 I H H 42.46 14.78 20.78 35.37 91.67 49.88 -64.21 -42.02 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 63 K H H 104.55 4.92 24.37 29.32 91.69 50.21 -64.05 -41.69 0.17 0.00 99.83 0.01 0.01 0.11 99.83 0.04 0.00 0.00 0.00 64 R H H 71.14 10.86 21.79 32.94 91.82 49.69 -64.77 -41.76 0.52 0.00 99.47 0.04 0.02 0.38 99.42 0.14 0.00 0.00 0.00 65 A H H 11.23 18.67 17.41 36.39 91.83 51.12 -63.95 -41.64 1.81 0.00 98.19 0.14 0.09 1.34 97.77 0.65 0.00 0.00 0.00 66 L H H 70.16 7.64 21.39 29.40 91.59 51.44 -65.15 -39.14 8.90 0.02 91.07 0.51 0.50 7.73 89.69 1.54 0.02 0.01 0.01 67 D H H 69.78 4.37 20.81 25.37 92.54 50.77 -69.54 -33.12 24.23 0.10 75.67 2.89 1.76 19.07 73.69 2.46 0.03 0.04 0.06 68 L H H 23.38 14.63 12.97 28.72 92.54 64.85 -64.84 -38.10 22.50 0.56 76.95 10.07 3.68 9.82 65.71 10.08 0.07 0.26 0.30 69 T H H 64.11 9.11 14.74 24.72 92.60 54.20 -66.20 -38.26 21.96 0.42 77.61 6.96 2.79 12.12 65.11 12.53 0.06 0.23 0.20 70 M H H 128.51 2.58 15.23 18.19 92.66 51.55 -69.77 -30.27 28.22 0.38 71.40 4.43 3.84 19.32 59.02 12.80 0.17 0.19 0.23 71 R C T 140.51 3.04 14.33 18.12 96.44 44.02 -91.12 -1.68 60.59 0.41 39.01 5.88 8.64 45.21 31.42 8.27 0.07 0.17 0.35 72 Q C T 124.21 5.39 13.08 20.41 94.89 -122.48 58.36 37.83 91.15 0.36 8.49 19.55 10.54 61.50 5.72 2.29 0.00 0.16 0.23 73 Q C C 91.64 6.24 15.40 23.27 121.71 145.12 -108.01 140.04 95.56 2.51 1.93 81.63 10.83 3.07 0.81 0.98 0.00 1.26 1.42 74 I C C 91.85 9.20 16.94 27.03 114.34 -134.77 -94.09 131.21 93.87 5.54 0.59 87.34 5.37 0.77 0.29 0.27 0.00 2.00 3.95 75 L C C 21.35 20.49 10.15 30.15 115.47 -124.86 -83.04 135.08 98.86 1.12 0.02 93.77 5.26 0.05 0.01 0.01 0.00 0.52 0.39 76 P C C 61.13 4.22 18.59 23.37 114.11 -106.17 -64.73 148.12 99.63 0.32 0.05 99.33 0.37 0.05 0.02 0.01 0.00 0.11 0.12 77 K H G 131.23 7.30 11.92 20.94 90.98 -114.98 -57.51 -35.80 9.83 0.05 90.12 0.92 0.98 7.21 4.00 86.85 0.00 0.03 0.01 78 E H G 150.06 1.30 15.86 16.86 90.50 61.08 -68.76 -19.06 9.58 0.04 90.38 0.48 0.69 7.87 3.96 86.96 0.00 0.03 0.01 79 Q H G 68.85 10.75 13.20 24.99 96.15 54.73 -93.24 -5.38 9.80 0.10 90.10 1.34 1.26 6.57 4.28 86.46 0.00 0.07 0.01 80 W C C 61.61 16.96 11.73 28.30 116.30 96.57 -84.91 136.33 85.11 3.77 11.11 63.97 17.39 3.08 7.64 3.27 0.00 1.13 3.52 81 T C C 43.92 10.71 15.27 27.23 119.82 -155.66 -101.22 145.60 88.93 4.57 6.50 77.70 7.58 3.26 4.85 1.84 0.00 2.18 2.58 82 K C C 112.80 5.67 18.18 24.49 107.41 -121.36 -79.36 141.57 77.09 5.68 17.23 54.48 15.45 6.84 12.13 5.34 0.01 2.95 2.81 83 Y C C 95.93 11.81 13.46 25.56 96.28 -105.90 -65.51 -32.90 55.98 2.09 41.93 29.18 11.52 15.37 21.17 20.67 0.03 1.07 1.00 84 E C G 97.66 6.65 14.20 22.03 94.83 60.87 -72.48 -26.55 50.29 1.37 48.34 24.89 9.58 15.56 23.46 25.11 0.02 0.67 0.70 85 E H G 98.94 6.12 14.15 21.58 95.51 59.94 -72.73 -26.44 49.33 1.11 49.56 20.27 10.54 18.14 24.43 25.44 0.03 0.51 0.63 86 D C C 65.99 9.82 12.64 23.35 99.54 55.83 -86.97 5.11 62.95 0.86 36.19 34.09 11.83 17.04 20.00 16.06 0.01 0.36 0.62 87 K C C 100.64 8.59 14.18 23.66 102.48 97.86 -83.17 9.04 61.72 0.93 37.35 36.21 12.37 12.58 20.44 17.39 0.01 0.40 0.61 88 F H G 119.75 5.77 16.25 22.92 97.28 68.31 -71.99 -12.57 45.75 0.83 53.42 23.38 6.56 14.76 16.64 37.82 0.00 0.45 0.39 89 Y H G 84.01 10.54 16.34 27.63 95.66 85.50 -72.51 -31.49 45.47 0.68 53.85 10.09 7.01 27.21 15.95 38.97 0.03 0.35 0.39 90 L H G 22.75 19.46 13.59 32.69 95.17 53.41 -85.00 -15.77 36.95 0.35 62.70 8.92 4.67 21.89 29.41 34.70 0.03 0.17 0.21 91 E H H 81.93 8.73 17.25 27.14 92.22 82.31 -60.20 -43.71 4.60 0.01 95.39 1.64 0.78 1.90 94.29 1.38 0.00 0.00 0.00 92 P H H 64.85 3.68 20.23 24.03 91.57 50.00 -64.18 -38.99 2.65 0.01 97.34 0.53 0.22 1.69 96.20 1.35 0.00 0.00 0.00 93 Y H H 50.45 13.68 17.87 32.07 92.00 50.65 -65.41 -41.57 0.91 0.00 99.09 0.17 0.07 0.57 98.13 1.06 0.00 0.00 0.00 94 L H H 31.79 15.93 17.14 33.29 92.07 51.07 -63.95 -41.55 0.29 0.00 99.71 0.07 0.02 0.14 99.60 0.16 0.00 0.00 0.00 95 K H H 114.62 3.12 21.88 24.77 91.52 50.41 -64.07 -40.95 0.11 0.00 99.89 0.02 0.01 0.05 99.89 0.03 0.00 0.00 0.00 96 E H H 79.04 5.24 20.60 26.41 91.69 50.29 -64.60 -41.54 0.08 0.00 99.92 0.01 0.00 0.04 99.92 0.02 0.00 0.00 0.00 97 V H H 18.47 15.28 17.05 33.44 92.13 49.69 -64.23 -43.19 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 98 I H H 55.08 8.11 18.96 28.31 91.53 49.68 -63.33 -42.32 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 99 R H H 123.52 2.34 20.78 22.20 91.68 49.82 -63.94 -42.03 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 100 E H H 68.90 6.93 17.59 25.82 91.98 49.88 -64.92 -41.01 0.17 0.00 99.83 0.01 0.01 0.11 99.85 0.02 0.00 0.00 0.00 101 R H H 88.79 8.43 16.54 25.97 91.96 50.57 -64.58 -40.86 0.23 0.00 99.77 0.02 0.01 0.14 99.81 0.02 0.00 0.00 0.00 102 K H H 112.20 2.44 18.24 20.42 91.78 50.45 -63.96 -40.75 0.28 0.00 99.72 0.03 0.01 0.16 99.76 0.04 0.00 0.00 0.00 103 E H H 94.31 2.69 16.61 19.56 91.94 49.92 -64.96 -41.24 0.44 0.00 99.56 0.05 0.02 0.26 99.61 0.06 0.00 0.00 0.00 104 R H H 106.49 4.96 14.91 20.93 92.04 49.87 -65.38 -41.01 0.50 0.00 99.50 0.06 0.03 0.29 99.51 0.11 0.00 0.00 0.00 105 E H H 95.11 2.76 14.58 18.02 91.89 50.40 -64.18 -40.89 0.83 0.00 99.17 0.10 0.05 0.52 99.09 0.23 0.00 0.00 0.00 106 E H H 106.00 1.66 13.97 15.50 91.90 50.51 -64.59 -40.66 2.69 0.00 97.30 0.29 0.16 1.92 96.91 0.71 0.00 0.00 0.00 107 W H H 137.63 2.91 11.35 15.58 92.55 50.25 -67.58 -37.33 6.63 0.01 93.36 0.69 0.46 4.97 92.31 1.56 0.00 0.00 0.00 108 A H H 73.15 2.77 9.95 14.06 92.68 54.47 -69.90 -27.56 23.52 0.06 76.43 2.49 1.90 18.54 75.63 1.37 0.01 0.02 0.04 109 K C H 154.93 1.21 10.02 11.69 95.98 56.36 -80.18 -9.75 60.42 0.15 39.43 20.58 1.72 35.69 40.42 1.45 0.00 0.05 0.11 110 K C C 147.73 2.51 10.88 14.97 102.87 103.40 -76.51 64.01 99.93 0.02 0.05 99.68 0.13 0.13 0.04 0.00 0.00 0.01 0.00