# 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 95.25 6.32 10.99 18.75 108.46 -136.09 -82.57 115.84 99.92 0.03 0.04 99.80 0.10 0.05 0.02 0.00 0.00 0.01 0.01 1 T C C 86.85 2.27 11.07 14.21 102.26 62.92 -72.53 -42.10 63.27 0.26 36.46 58.09 0.83 3.91 35.95 1.00 0.00 0.09 0.13 2 D H H 107.15 1.32 10.88 12.43 95.21 38.25 -67.17 -36.52 27.97 0.23 71.80 17.54 3.81 6.57 70.22 1.68 0.00 0.08 0.10 3 E H H 113.88 2.61 11.17 14.88 93.35 52.59 -67.45 -37.16 11.35 0.11 88.53 6.32 1.72 3.66 86.55 1.66 0.00 0.05 0.04 4 L H H 85.44 3.75 11.38 16.70 92.56 52.43 -65.40 -39.99 4.50 0.05 95.44 2.37 0.68 1.60 94.05 1.25 0.00 0.03 0.01 5 K H H 122.64 1.45 14.56 15.49 92.03 50.93 -64.66 -40.62 3.03 0.04 96.93 1.41 0.41 1.25 96.08 0.82 0.00 0.02 0.01 6 S H H 60.31 2.17 14.71 17.07 92.18 50.20 -64.81 -40.86 2.39 0.02 97.58 0.95 0.33 1.08 97.13 0.50 0.00 0.01 0.01 7 Y H H 99.25 5.18 13.52 20.16 92.20 49.84 -65.39 -41.55 1.42 0.01 98.57 0.54 0.17 0.63 98.40 0.24 0.00 0.01 0.00 8 E H H 105.77 2.46 16.23 18.86 91.70 50.30 -64.24 -40.95 0.75 0.00 99.25 0.24 0.07 0.35 99.21 0.12 0.00 0.00 0.00 9 A H H 61.89 1.64 17.01 17.59 91.58 50.09 -64.27 -41.33 0.74 0.00 99.25 0.19 0.06 0.39 99.26 0.11 0.00 0.00 0.00 10 L H H 71.57 4.17 15.19 20.51 91.84 49.91 -64.44 -41.64 0.58 0.00 99.42 0.14 0.05 0.31 99.43 0.09 0.00 0.00 0.00 11 K H H 98.46 4.54 15.70 21.21 91.79 50.89 -63.32 -41.71 0.42 0.00 99.58 0.08 0.03 0.21 99.63 0.05 0.00 0.00 0.00 12 A H H 57.97 1.84 17.19 18.25 91.29 50.28 -63.72 -41.54 0.39 0.00 99.60 0.07 0.02 0.21 99.66 0.04 0.00 0.00 0.00 13 E H H 106.09 2.00 16.94 18.38 91.76 49.86 -64.51 -41.13 0.32 0.00 99.68 0.05 0.02 0.17 99.72 0.03 0.00 0.00 0.00 14 L H H 76.82 4.82 14.72 20.64 91.90 50.04 -64.48 -41.22 0.25 0.00 99.75 0.05 0.01 0.13 99.77 0.03 0.00 0.00 0.00 15 K H H 117.21 2.52 16.56 19.23 91.63 50.52 -63.87 -40.95 0.25 0.00 99.74 0.04 0.01 0.14 99.77 0.03 0.00 0.00 0.00 16 K H H 123.33 1.43 17.31 17.45 91.73 49.85 -64.88 -41.04 0.41 0.00 99.59 0.05 0.02 0.25 99.64 0.04 0.00 0.00 0.00 17 S H H 50.88 3.18 15.69 19.53 91.80 50.66 -64.25 -41.26 0.73 0.00 99.27 0.09 0.04 0.45 99.37 0.06 0.00 0.00 0.00 18 L H H 77.26 3.75 15.31 19.92 91.73 50.28 -64.36 -41.17 0.75 0.00 99.25 0.14 0.05 0.42 99.28 0.11 0.00 0.00 0.00 19 Q H H 98.29 1.88 16.79 18.04 91.53 50.46 -64.02 -41.35 0.69 0.00 99.31 0.13 0.05 0.38 99.35 0.10 0.00 0.00 0.00 20 D H H 81.61 1.90 16.51 17.85 91.80 49.98 -64.56 -40.87 0.66 0.00 99.34 0.11 0.04 0.37 99.39 0.08 0.00 0.00 0.00 21 R H H 121.48 3.16 15.42 19.20 91.72 50.57 -64.53 -40.56 0.54 0.00 99.46 0.09 0.03 0.31 99.49 0.08 0.00 0.00 0.00 22 R H H 131.20 2.35 15.98 18.44 91.92 50.73 -64.16 -40.90 0.53 0.00 99.47 0.09 0.03 0.30 99.50 0.08 0.00 0.00 0.00 23 E H H 110.94 1.55 16.83 17.32 91.78 50.06 -64.26 -41.13 0.56 0.00 99.44 0.09 0.03 0.32 99.48 0.07 0.00 0.00 0.00 24 Q H H 92.03 2.51 15.92 18.52 91.87 49.77 -64.46 -41.31 0.47 0.00 99.53 0.08 0.03 0.26 99.57 0.06 0.00 0.00 0.00 25 E H H 92.69 3.53 15.15 19.53 91.59 50.82 -64.09 -40.97 0.40 0.00 99.60 0.06 0.02 0.22 99.64 0.06 0.00 0.00 0.00 26 D H H 85.45 1.87 16.67 17.94 91.82 50.31 -64.37 -40.94 0.43 0.00 99.57 0.06 0.02 0.26 99.60 0.06 0.00 0.00 0.00 27 T H H 78.32 1.79 16.86 17.83 91.86 49.76 -64.66 -41.49 0.51 0.00 99.49 0.06 0.03 0.31 99.53 0.06 0.00 0.00 0.00 28 F H H 100.32 3.74 15.39 19.96 92.01 49.80 -64.90 -41.34 0.34 0.00 99.66 0.05 0.02 0.20 99.68 0.06 0.00 0.00 0.00 29 D H H 72.93 3.26 15.93 19.82 91.60 51.08 -63.63 -41.04 0.30 0.00 99.70 0.04 0.01 0.18 99.73 0.04 0.00 0.00 0.00 30 N H H 93.28 1.64 17.50 18.01 91.80 50.16 -64.72 -40.67 0.47 0.00 99.53 0.04 0.02 0.33 99.57 0.05 0.00 0.00 0.00 31 L H H 82.79 3.02 16.37 19.69 91.79 49.76 -64.44 -41.42 0.38 0.00 99.62 0.05 0.02 0.24 99.64 0.05 0.00 0.00 0.00 32 Q H H 83.88 4.75 15.41 21.31 91.71 50.76 -63.87 -40.80 0.18 0.00 99.82 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 33 Q H H 99.29 2.34 17.08 19.24 91.73 50.43 -64.19 -40.75 0.16 0.00 99.84 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 34 E H H 105.42 2.01 17.57 18.85 91.77 50.05 -64.65 -40.99 0.18 0.00 99.82 0.01 0.01 0.12 99.83 0.03 0.00 0.00 0.00 35 I H H 74.71 4.74 15.92 21.72 91.71 49.73 -64.55 -42.20 0.19 0.00 99.81 0.02 0.01 0.12 99.81 0.04 0.00 0.00 0.00 36 Y H H 108.92 4.72 16.08 21.78 91.65 50.29 -63.66 -41.32 0.23 0.00 99.77 0.02 0.01 0.15 99.76 0.06 0.00 0.00 0.00 37 D H H 87.76 2.04 18.10 19.50 91.65 50.07 -64.10 -40.70 0.47 0.00 99.53 0.04 0.02 0.34 99.52 0.09 0.00 0.00 0.00 38 K H H 106.43 2.98 17.34 20.42 91.98 49.83 -65.30 -40.64 0.73 0.00 99.27 0.06 0.04 0.52 99.22 0.16 0.00 0.00 0.00 39 E H H 73.58 6.88 14.88 23.21 92.05 50.63 -65.05 -40.51 1.07 0.00 98.93 0.12 0.07 0.72 98.72 0.37 0.00 0.00 0.00 40 T H H 64.00 4.01 15.70 20.73 91.99 51.39 -64.92 -39.54 2.12 0.01 97.87 0.23 0.15 1.54 96.77 1.31 0.00 0.00 0.00 41 E H H 111.10 2.06 16.57 18.24 92.42 52.11 -65.73 -39.72 3.97 0.02 96.01 0.37 0.28 3.16 92.66 3.49 0.01 0.01 0.01 42 Y H H 117.15 5.20 13.95 20.32 93.21 52.03 -67.62 -35.84 8.23 0.06 91.71 0.76 0.66 6.75 87.96 3.78 0.03 0.03 0.02 43 F H H 114.74 6.17 12.65 19.97 96.73 49.87 -82.77 -13.72 20.08 0.54 79.38 4.23 2.98 13.66 74.38 4.11 0.13 0.27 0.25 44 S H H 75.81 3.05 13.88 17.78 101.30 69.13 -81.31 -6.61 41.39 2.48 56.13 14.59 8.20 21.04 49.92 3.75 0.17 1.25 1.06 45 H C H 128.03 3.86 11.47 16.97 110.10 79.32 -90.95 108.39 58.17 3.56 38.27 25.26 13.04 21.43 32.90 4.05 0.12 1.77 1.43 46 N C C 97.53 5.73 10.09 17.48 115.18 -135.04 -103.10 135.99 70.25 4.85 24.90 42.62 12.40 15.32 20.41 4.61 0.05 2.45 2.14 47 S C C 77.46 4.00 10.35 16.09 112.92 -147.52 -96.09 131.69 78.89 5.53 15.57 44.62 16.59 18.07 9.82 5.60 0.02 3.08 2.21 48 N C C 117.05 2.84 10.81 15.07 112.13 64.79 -96.06 120.24 81.43 6.86 11.71 44.40 20.01 17.70 5.44 5.93 0.02 4.06 2.45 49 N C C 107.84 4.10 9.80 15.79 115.96 -144.51 -96.53 135.85 78.67 11.37 9.96 46.48 18.27 14.48 3.92 5.92 0.02 7.44 3.46 50 N C C 112.48 3.29 9.77 14.90 116.03 -154.77 -102.55 132.68 74.54 17.23 8.23 45.54 16.98 12.40 3.00 5.32 0.03 12.00 4.73 51 H C C 134.78 3.64 8.89 14.43 116.10 -161.63 -100.16 132.44 71.84 20.70 7.47 43.98 17.33 10.89 2.89 4.75 0.05 14.42 5.70 52 S C C 84.48 2.42 9.24 13.24 115.11 -159.01 -100.05 134.12 75.60 16.96 7.45 44.78 17.89 13.44 2.62 4.88 0.03 11.78 4.57 53 G C C 57.27 2.19 9.05 12.55 113.92 -128.44 -100.27 165.15 80.34 10.85 8.82 42.21 19.48 19.61 2.40 6.20 0.02 6.85 3.24 54 H C C 158.56 1.40 8.45 11.00 109.21 -74.30 -91.61 102.66 80.29 8.55 11.16 31.92 22.52 27.29 2.85 7.53 0.04 4.60 3.25 55 G C T 61.22 1.32 9.52 11.71 106.49 5.93 51.57 14.65 85.23 4.48 10.28 27.45 26.30 32.25 2.23 7.55 0.01 2.29 1.92 56 G C C 55.34 2.23 9.08 12.83 112.55 -3.43 98.22 96.32 85.89 3.77 10.34 32.50 25.31 28.62 2.09 7.90 0.01 1.82 1.75 57 A C C 87.12 2.06 8.74 12.21 111.92 -92.26 -88.99 129.45 81.34 6.14 12.52 34.73 23.48 24.09 2.83 9.06 0.02 3.00 2.78 58 H C C 152.54 1.84 9.11 12.41 112.14 -144.06 -92.61 124.23 79.28 6.84 13.88 34.04 22.61 23.81 3.43 9.69 0.03 3.45 2.94 59 G C C 50.24 3.49 9.58 14.73 116.04 29.83 -96.16 169.05 76.47 7.69 15.84 36.91 23.04 17.61 4.47 10.75 0.03 4.30 2.89 60 S C C 82.25 3.15 10.57 15.18 113.34 -86.81 -89.07 137.20 71.34 11.31 17.36 44.34 14.67 12.70 5.46 11.89 0.02 7.55 3.36 61 K C C 137.88 4.38 10.55 16.63 114.24 -145.88 -95.22 131.21 64.07 17.22 18.71 39.22 13.84 11.75 6.14 12.34 0.07 12.62 4.01 62 S C C 69.74 5.94 11.10 18.63 119.57 -158.31 -106.11 138.98 59.68 23.42 16.90 37.24 13.55 10.11 5.51 10.97 0.09 18.42 4.11 63 H C C 114.56 6.77 12.07 20.38 118.86 -154.75 -107.92 133.13 59.32 28.54 12.15 39.65 12.50 7.75 4.42 7.70 0.07 22.37 5.55 64 Y C C 134.60 7.44 13.11 21.86 115.45 -162.11 -105.06 127.52 68.60 24.68 6.73 47.15 13.65 7.55 2.48 4.39 0.02 19.51 5.24 65 S C C 66.65 6.47 15.02 22.59 118.06 -170.55 -109.48 139.63 78.91 18.30 2.79 54.80 15.36 8.21 0.89 2.09 0.00 14.46 4.20 66 G C C 28.77 8.73 15.41 25.18 131.58 82.97 137.37 -175.36 78.79 19.39 1.82 51.46 21.79 5.36 0.68 1.34 0.01 13.41 5.95 67 N C C 61.56 9.40 16.06 26.47 119.14 -76.35 -99.15 140.60 75.21 22.80 1.99 57.96 13.46 2.33 1.24 0.97 0.00 11.29 12.75 68 I C T 85.36 10.14 14.36 25.23 94.64 -138.58 -69.99 -28.26 62.23 14.80 22.97 12.77 23.11 27.59 11.52 9.14 1.66 8.73 5.48 69 I C T 92.07 7.07 15.51 23.30 98.11 54.52 -79.42 -33.21 58.03 17.94 24.04 7.97 16.70 32.76 10.33 11.29 2.89 10.34 7.72 70 K C T 117.14 5.35 15.64 21.63 102.38 39.59 -92.07 14.10 61.70 10.75 27.55 8.56 13.12 39.04 11.26 15.31 1.34 6.68 4.70 71 G C T 33.44 7.58 14.80 23.46 105.74 -76.02 85.95 -9.72 74.72 5.71 19.57 20.29 14.95 39.73 9.88 9.16 0.13 3.50 2.37 72 F C C 93.66 9.65 12.67 23.04 103.75 80.83 -82.66 -15.02 60.73 13.28 25.99 30.50 14.46 16.67 12.88 11.75 0.35 6.38 7.01 73 D C T 86.23 5.08 14.74 20.96 100.06 75.84 -71.52 -24.74 60.13 6.69 33.18 20.26 12.95 27.40 15.97 16.22 0.27 4.12 2.83 74 T C T 68.29 6.24 13.38 20.90 98.86 57.14 -81.71 -11.79 58.86 4.63 36.52 20.29 11.39 27.80 16.47 19.09 0.13 2.85 1.99 75 F C T 108.18 7.61 11.28 20.16 96.79 78.93 -72.54 -26.83 59.82 4.78 35.40 16.07 12.54 31.19 17.82 17.06 0.31 2.79 2.22 76 S C T 73.65 3.99 11.67 17.06 100.84 58.45 -88.46 1.52 62.19 6.40 31.41 19.86 13.75 29.78 16.24 13.58 0.34 3.47 2.98 77 K C C 135.44 3.18 10.47 15.30 106.60 77.19 -88.65 59.61 71.55 5.51 22.94 32.96 21.41 18.49 13.14 8.48 0.07 2.69 2.76 78 S C C 77.43 3.70 9.41 14.79 107.01 65.24 -87.19 78.01 79.74 4.01 16.25 42.11 18.68 19.49 8.36 7.34 0.02 1.94 2.07 79 H C C 132.27 3.55 9.04 14.39 108.69 96.03 -91.19 99.45 80.44 4.63 14.92 46.62 19.16 14.83 7.65 6.95 0.01 2.15 2.62 80 H C C 143.40 2.47 9.43 13.49 108.11 141.53 -90.35 99.62 81.27 3.41 15.32 40.42 21.87 19.71 7.03 7.50 0.01 1.54 1.91 81 S C C 75.30 3.71 8.79 14.24 113.38 116.88 -95.14 130.50 83.47 2.56 13.98 41.21 22.47 20.40 5.43 7.86 0.01 1.15 1.48 82 H C C 143.85 2.72 9.50 13.85 105.19 -142.34 -87.82 25.35 83.75 3.15 13.10 50.57 18.37 14.96 5.05 7.67 0.00 1.47 1.92 83 A C C 72.13 4.41 9.13 15.22 108.88 116.16 -84.57 91.55 85.29 3.03 11.68 56.72 15.88 12.57 4.38 7.13 0.00 1.47 1.85 84 D C C 110.38 2.75 10.75 15.01 105.29 67.63 -89.03 50.56 87.49 2.53 9.98 55.76 18.16 13.44 3.32 6.58 0.00 1.20 1.54 85 S C C 67.10 6.08 9.85 17.46 109.78 140.32 -90.62 106.26 90.57 2.05 7.38 57.03 22.56 10.91 2.06 5.28 0.00 0.96 1.21 86 A C C 74.42 3.71 13.73 18.77 115.44 -163.02 -88.26 137.98 93.24 2.69 4.07 70.72 16.94 5.26 1.33 2.80 0.00 1.25 1.70 87 F C C 84.92 13.59 8.59 21.83 116.04 -117.39 -86.25 133.99 97.26 2.05 0.69 89.10 7.40 0.62 0.35 0.30 0.00 0.79 1.45 88 N C C 79.44 3.61 16.60 20.89 127.38 -172.04 -116.28 160.16 98.98 0.56 0.46 96.66 2.12 0.31 0.23 0.13 0.00 0.18 0.37 89 N H G 108.74 6.54 12.11 20.27 91.25 -105.59 -62.40 -26.75 20.25 0.30 79.46 2.86 2.71 14.06 3.65 76.46 0.00 0.20 0.06 90 N H G 120.33 2.00 16.25 18.50 91.67 63.61 -75.60 -14.48 20.15 0.27 79.58 2.03 2.19 14.99 3.63 76.93 0.00 0.18 0.05 91 D H G 48.71 12.01 12.73 25.66 96.76 61.89 -88.88 -0.48 21.87 1.03 77.10 9.07 4.55 8.32 3.68 73.47 0.00 0.70 0.22 92 R C C 84.97 12.49 13.64 26.62 113.89 110.09 -84.92 127.24 70.17 19.13 10.70 53.67 11.23 3.27 6.90 4.09 0.03 6.94 13.87 93 I C C 81.59 9.42 16.43 26.40 101.61 -168.35 -82.47 -32.45 64.66 15.92 19.42 32.86 16.90 15.98 11.01 7.97 0.26 9.67 5.35 94 F C C 100.71 8.68 15.58 24.75 111.48 33.03 -102.24 108.46 65.91 14.39 19.70 25.09 22.42 20.32 10.22 8.42 0.35 8.89 4.29 95 S C C 46.73 9.35 14.25 24.44 115.87 -152.71 -87.73 147.73 72.72 7.68 19.61 48.83 13.11 10.42 10.97 8.93 0.02 4.40 3.30 96 L C C 104.39 6.51 14.95 22.34 95.74 -123.77 -69.99 -22.68 58.22 3.38 38.40 22.68 14.44 22.08 22.50 14.87 0.12 1.81 1.51 97 S C T 65.01 5.26 14.93 21.17 96.92 64.42 -76.46 -20.11 58.66 2.58 38.76 19.29 13.79 26.07 23.79 14.38 0.11 1.38 1.20 98 S C H 49.22 8.34 12.78 22.31 106.40 74.03 -80.68 88.45 55.15 3.18 41.67 26.29 13.18 16.77 28.54 12.09 0.08 1.67 1.37 99 A H H 62.15 5.97 13.97 21.17 96.49 53.63 -72.67 -22.73 46.72 3.13 50.15 24.55 12.78 11.22 42.41 6.11 0.07 1.89 0.97 100 T H H 75.34 3.97 15.27 20.02 95.75 65.71 -69.24 -39.30 40.34 4.17 55.50 23.69 9.62 8.76 49.37 4.65 0.05 2.91 0.94 101 Y H H 103.00 5.97 13.69 21.08 95.55 56.08 -68.02 -39.07 32.12 4.85 63.02 21.82 6.19 6.02 57.09 4.30 0.04 3.62 0.91 102 V H H 69.52 6.10 13.22 20.80 94.33 54.20 -66.03 -40.65 25.22 3.73 71.05 19.01 3.79 4.27 65.38 3.98 0.02 2.95 0.61 103 K H H 121.78 2.89 14.42 18.04 93.43 52.74 -65.32 -39.63 23.99 2.79 73.22 17.37 3.56 4.96 66.65 4.79 0.02 2.14 0.52 104 Q H H 107.53 2.86 13.73 17.27 93.49 51.17 -67.29 -37.65 25.57 2.00 72.43 17.03 4.08 6.38 65.58 5.05 0.03 1.35 0.50 105 Q H H 97.42 4.28 12.01 17.66 94.56 52.05 -70.09 -34.48 31.40 1.55 67.05 19.70 5.50 8.07 60.82 4.51 0.03 0.88 0.50 106 H H H 115.75 3.61 11.94 16.94 96.36 56.71 -71.71 -32.30 41.96 1.16 56.87 22.67 7.11 13.10 52.46 3.59 0.03 0.58 0.47 107 G C H 44.22 3.21 11.66 16.12 100.70 51.45 -49.83 -31.80 58.21 0.91 40.88 31.27 8.97 18.18 36.37 4.32 0.01 0.41 0.45 108 Q C C 119.43 2.84 10.43 14.38 100.06 58.45 -74.63 -26.19 59.05 1.35 39.61 31.79 9.96 18.04 31.39 7.44 0.02 0.64 0.72 109 S C C 78.58 2.61 9.21 13.14 100.47 59.17 -79.35 -8.91 65.48 1.46 33.07 33.18 10.22 23.04 23.91 8.14 0.02 0.69 0.81 110 Q C C 130.83 2.17 8.20 11.85 102.05 77.35 -80.94 -4.84 72.68 1.78 25.54 34.81 15.39 23.51 16.46 8.01 0.02 0.82 1.00 111 N C C 126.94 1.43 8.57 11.09 103.97 70.94 -84.97 33.16 86.99 0.97 12.05 61.46 3.84 22.82 7.38 3.45 0.00 0.51 0.54 112 D C C 106.89 2.83 9.41 13.94 105.80 135.01 -84.58 68.03 99.89 0.05 0.06 99.59 0.18 0.16 0.02 0.01 0.00 0.02 0.01