# 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 102.05 8.51 12.30 21.73 114.30 -157.98 -90.58 129.77 99.88 0.08 0.04 99.77 0.11 0.05 0.02 0.00 0.00 0.03 0.01 1 S C C 68.71 5.19 11.13 17.83 113.91 -136.02 -85.34 145.18 86.06 1.18 12.76 79.28 1.31 6.42 9.60 2.18 0.00 0.58 0.62 2 S C C 81.54 3.44 11.01 16.01 103.68 -131.07 -82.35 9.78 70.86 1.48 27.66 44.12 13.01 13.40 21.48 6.49 0.01 0.64 0.85 3 L C C 97.20 6.22 11.16 18.75 104.57 84.22 -83.80 13.61 59.51 1.15 39.35 32.45 14.83 13.07 32.00 6.54 0.02 0.47 0.63 4 S C H 52.70 6.28 13.40 21.04 108.13 67.32 -80.87 147.18 54.98 0.95 44.08 38.80 8.39 7.77 40.05 4.12 0.00 0.38 0.49 5 E H H 109.67 5.40 16.35 22.73 94.46 -95.76 -65.70 -36.61 7.84 0.06 92.10 3.86 1.78 2.26 91.43 0.62 0.00 0.02 0.03 6 Y H H 80.58 11.82 16.47 28.50 92.73 52.37 -65.67 -40.99 2.50 0.02 97.48 0.86 0.35 1.19 97.24 0.34 0.00 0.01 0.01 7 A H H 30.42 10.45 16.99 28.71 92.04 51.16 -64.28 -41.11 1.07 0.01 98.92 0.41 0.12 0.48 98.75 0.23 0.00 0.00 0.00 8 V H H 69.05 5.45 20.91 26.76 91.94 50.37 -64.65 -41.55 0.51 0.00 99.49 0.19 0.05 0.23 99.43 0.11 0.00 0.00 0.00 9 R H H 79.56 10.90 20.81 31.83 91.93 49.99 -64.74 -41.74 0.54 0.00 99.46 0.13 0.04 0.30 99.45 0.08 0.00 0.00 0.00 10 M H H 39.94 16.46 19.88 35.83 92.12 50.49 -64.32 -41.38 0.49 0.00 99.51 0.09 0.03 0.29 99.53 0.07 0.00 0.00 0.00 11 S H H 41.41 10.06 22.04 32.37 91.75 51.42 -64.41 -41.20 0.82 0.00 99.18 0.13 0.05 0.51 99.24 0.07 0.00 0.00 0.00 12 R H H 103.81 7.30 24.00 31.50 91.94 49.67 -65.30 -41.56 0.71 0.00 99.29 0.08 0.04 0.44 99.39 0.05 0.00 0.00 0.00 13 L H H 25.65 15.35 21.15 36.71 91.83 50.25 -64.22 -42.64 0.30 0.00 99.70 0.05 0.02 0.16 99.72 0.05 0.00 0.00 0.00 14 S H H 18.98 14.64 19.66 34.82 91.62 51.32 -63.01 -41.51 0.25 0.00 99.75 0.04 0.01 0.15 99.73 0.06 0.00 0.00 0.00 15 A H H 31.44 8.21 19.25 28.81 91.67 51.08 -64.28 -41.39 0.23 0.00 99.77 0.02 0.01 0.15 99.73 0.09 0.00 0.00 0.00 16 R H H 115.16 7.39 20.69 28.41 92.29 48.73 -66.57 -40.57 0.39 0.00 99.61 0.02 0.01 0.33 99.47 0.16 0.00 0.00 0.00 17 L H H 41.01 16.76 17.41 33.60 95.45 42.69 -73.53 -39.06 1.77 0.00 98.23 0.04 0.06 1.71 97.99 0.20 0.00 0.00 0.00 18 F H H 75.43 11.19 16.72 28.57 98.62 28.22 -101.53 -5.22 14.42 0.03 85.56 0.60 1.27 12.39 85.38 0.32 0.02 0.00 0.02 19 G C T 48.66 5.11 16.78 22.85 95.15 -119.10 75.71 11.85 98.88 0.20 0.92 18.60 31.65 48.73 0.37 0.48 0.00 0.09 0.10 20 E C S 103.53 4.70 16.49 22.48 130.26 95.77 -128.44 154.77 98.11 1.18 0.71 27.92 67.09 3.24 0.25 0.38 0.00 0.53 0.59 21 V C C 74.56 10.27 13.02 24.14 114.88 -109.12 -90.48 129.14 96.86 2.12 1.03 81.56 13.14 1.88 0.36 0.64 0.00 0.95 1.46 22 A C C 54.85 9.81 14.01 24.63 101.30 -163.28 -84.87 -26.65 98.09 1.25 0.66 55.27 41.04 1.92 0.22 0.39 0.00 0.49 0.68 23 R C S 138.58 4.31 16.68 22.04 115.15 11.54 -124.41 114.34 98.40 1.15 0.44 44.72 51.91 1.82 0.13 0.27 0.00 0.39 0.77 24 P C C 62.29 12.50 11.29 24.10 105.37 -136.04 -68.09 116.48 98.20 0.34 1.45 46.74 17.15 34.21 0.23 1.32 0.00 0.17 0.17 25 T C C 95.35 4.21 14.32 19.63 100.51 72.93 -94.87 3.78 97.35 0.52 2.13 43.01 20.69 33.64 0.48 1.65 0.00 0.22 0.32 26 D C C 63.46 6.76 11.84 20.48 113.50 108.90 -86.17 130.57 96.09 0.78 3.12 56.18 38.49 1.28 2.50 0.55 0.00 0.15 0.85 27 S H H 81.66 2.57 14.26 17.92 92.97 -140.21 -63.32 -34.73 12.82 0.06 87.13 3.92 2.97 5.99 84.85 2.22 0.01 0.02 0.03 28 K H H 115.41 4.39 16.25 21.55 92.68 55.60 -66.41 -39.14 7.97 0.04 91.99 1.99 1.01 4.62 90.13 2.21 0.01 0.02 0.02 29 S H H 19.53 14.09 13.04 28.05 92.69 51.16 -65.52 -38.88 4.17 0.04 95.80 1.67 0.55 1.90 93.77 2.08 0.00 0.02 0.01 30 M H H 76.69 7.46 17.30 25.88 92.10 52.96 -64.23 -39.49 1.82 0.02 98.16 0.87 0.24 0.69 97.34 0.85 0.00 0.01 0.00 31 K H H 107.10 3.48 20.44 23.81 92.19 52.22 -65.23 -40.76 1.25 0.01 98.73 0.47 0.14 0.59 98.37 0.43 0.00 0.01 0.00 32 V H H 34.71 12.56 17.75 31.06 92.15 50.32 -64.59 -42.74 0.96 0.01 99.03 0.30 0.09 0.48 98.76 0.36 0.00 0.01 0.00 33 V H H 35.67 13.58 16.88 31.03 92.05 50.15 -64.14 -42.05 0.93 0.01 99.06 0.29 0.08 0.45 98.73 0.43 0.00 0.01 0.00 34 K H H 115.88 3.65 20.30 24.27 91.91 51.11 -64.46 -39.88 2.09 0.02 97.90 0.43 0.17 1.29 97.03 1.06 0.00 0.01 0.00 35 L H H 63.74 8.26 16.95 26.41 92.09 51.44 -66.58 -37.82 4.47 0.02 95.51 0.59 0.34 3.22 93.81 2.01 0.01 0.01 0.01 36 F H H 61.84 14.44 13.85 28.42 94.08 52.27 -77.02 -20.62 15.37 0.06 84.57 2.05 1.47 11.37 82.71 2.32 0.02 0.03 0.04 37 S H H 62.56 7.42 15.55 23.75 95.51 64.45 -81.77 -12.39 47.94 0.30 51.77 7.81 6.19 33.60 49.41 2.65 0.04 0.10 0.20 38 E C S 104.66 4.90 13.99 20.46 116.70 88.35 -85.31 148.17 71.95 0.56 27.49 17.59 33.44 20.01 25.83 2.52 0.02 0.17 0.43 39 Q C C 105.96 4.93 14.48 20.67 113.95 -96.79 -74.58 139.74 86.36 0.62 13.01 42.15 37.84 6.33 10.66 2.33 0.00 0.19 0.50 40 P C C 52.09 8.45 12.45 22.61 106.88 -101.55 -66.88 134.63 80.35 0.90 18.74 72.01 3.36 6.06 11.55 5.95 0.00 0.37 0.70 41 L H G 76.79 9.33 11.04 21.46 94.84 -136.98 -65.16 -30.11 44.87 0.70 54.44 9.78 6.74 27.66 15.00 39.99 0.03 0.33 0.47 42 A H G 76.77 2.93 12.40 16.53 93.69 60.77 -69.56 -24.22 43.66 0.26 56.08 3.37 4.78 33.33 13.86 44.30 0.02 0.13 0.21 43 K H G 144.71 1.94 12.67 15.14 97.27 48.69 -84.73 -13.03 43.78 0.51 55.72 5.63 7.45 29.78 11.55 44.95 0.04 0.24 0.36 44 R C C 98.52 7.73 8.92 18.03 109.59 61.83 -111.11 87.69 91.60 0.63 7.77 69.88 17.60 3.99 4.93 2.64 0.00 0.18 0.77 45 K H G 139.88 2.99 12.16 16.92 94.94 172.85 -66.39 -28.94 42.02 0.28 57.70 5.88 5.08 29.27 19.36 40.05 0.01 0.14 0.20 46 E H G 123.18 3.20 13.14 17.45 94.34 62.39 -72.43 -20.89 41.44 0.33 58.24 4.07 4.67 30.55 20.26 40.01 0.03 0.16 0.24 47 T H G 46.98 10.81 11.11 22.78 98.93 52.58 -88.23 -16.07 34.98 0.89 64.14 9.16 5.55 19.42 21.43 43.51 0.03 0.49 0.41 48 Y H G 103.38 9.64 12.39 22.86 97.81 69.01 -74.83 -22.89 46.21 1.33 52.46 15.57 8.10 22.71 18.27 33.89 0.03 0.67 0.77 49 D C G 101.25 3.51 16.86 21.04 97.88 62.01 -85.33 6.07 58.84 1.01 40.15 18.23 9.64 30.96 8.92 31.14 0.01 0.50 0.60 50 W C C 103.19 10.63 14.08 25.42 101.13 95.75 -89.12 -4.41 72.46 1.92 25.61 38.89 18.00 15.85 5.81 19.18 0.01 0.80 1.45 51 Y C C 87.19 12.41 13.29 26.21 116.77 80.82 -105.11 127.82 96.86 1.50 1.64 56.04 38.64 2.11 0.84 0.60 0.00 0.44 1.33 52 P C C 45.40 11.65 13.44 26.10 116.17 -110.45 -69.97 152.91 98.92 0.49 0.59 81.37 16.04 1.55 0.28 0.23 0.00 0.18 0.36 53 N C C 87.96 4.52 16.46 21.68 112.89 -100.19 -67.41 145.29 96.89 1.39 1.71 93.79 2.37 0.70 1.26 0.25 0.00 0.34 1.27 54 H H H 114.38 7.01 12.03 20.53 93.74 -117.09 -61.47 -36.50 7.34 0.04 92.62 2.13 1.39 3.90 91.51 1.02 0.01 0.01 0.02 55 N H H 112.23 1.62 15.53 16.84 93.49 54.72 -67.13 -34.41 4.94 0.02 95.04 0.81 0.50 3.46 94.21 0.99 0.01 0.01 0.01 56 T H H 55.43 6.57 14.94 22.79 93.74 48.84 -68.98 -39.10 2.41 0.02 97.56 0.63 0.23 1.44 96.78 0.90 0.00 0.01 0.01 57 Y H H 58.65 13.98 13.37 27.66 92.50 53.04 -63.89 -42.43 0.49 0.00 99.51 0.13 0.04 0.23 99.45 0.15 0.00 0.00 0.00 58 F H H 113.63 4.16 18.01 22.92 92.21 50.96 -64.14 -40.67 0.16 0.00 99.84 0.03 0.01 0.09 99.83 0.05 0.00 0.00 0.00 59 A H H 56.40 2.99 18.85 21.75 91.70 50.43 -64.64 -41.45 0.11 0.00 99.89 0.01 0.00 0.07 99.87 0.04 0.00 0.00 0.00 60 L H H 42.88 12.12 16.77 29.67 92.07 49.51 -65.03 -41.67 0.12 0.00 99.88 0.01 0.00 0.09 99.84 0.06 0.00 0.00 0.00 61 M H H 52.66 12.89 16.53 29.91 91.92 51.14 -63.57 -40.88 0.23 0.00 99.77 0.01 0.01 0.17 99.68 0.12 0.00 0.00 0.00 62 G H H 34.25 3.21 19.24 22.48 91.76 51.24 -63.73 -41.21 1.32 0.00 98.68 0.05 0.04 1.19 98.38 0.33 0.00 0.00 0.00 63 T H H 62.58 4.77 18.22 23.60 92.33 49.13 -65.88 -41.02 2.49 0.00 97.50 0.14 0.17 2.16 96.79 0.73 0.01 0.00 0.00 64 L H H 27.19 14.25 13.22 28.41 92.68 49.66 -66.50 -40.31 2.55 0.02 97.43 0.31 0.23 1.79 92.59 5.06 0.01 0.01 0.00 65 R H H 114.97 7.61 14.37 23.17 91.67 55.37 -62.70 -40.48 3.03 0.02 96.95 0.22 0.15 2.35 85.46 11.81 0.01 0.01 0.00 66 F H H 161.07 1.29 15.69 16.49 91.24 52.97 -65.94 -28.49 8.98 0.02 91.00 0.20 0.26 8.53 78.84 12.12 0.02 0.01 0.01 67 L C T 89.82 5.73 13.41 20.57 93.07 52.27 -88.15 -2.06 68.57 0.05 31.38 0.36 1.33 68.42 22.38 7.42 0.01 0.02 0.06 68 G C T 44.93 4.12 15.79 21.07 96.64 -108.97 83.32 11.44 99.08 0.02 0.90 1.08 1.39 96.88 0.50 0.13 0.00 0.01 0.01 69 L C C 55.98 11.48 13.11 25.57 99.41 127.33 -82.29 -14.87 94.65 1.44 3.91 65.51 17.21 11.65 1.39 2.48 0.00 0.65 1.10 70 Y C C 78.66 12.54 12.25 25.33 120.22 61.15 -110.67 135.27 87.97 5.73 6.30 50.05 21.43 16.60 2.04 4.02 0.01 2.43 3.42 71 R C C 135.23 5.72 15.53 22.40 106.18 -166.42 -98.59 -8.63 88.01 5.11 6.89 44.73 31.54 12.04 2.82 3.82 0.00 2.34 2.70 72 D C C 71.56 6.59 14.38 22.22 115.07 12.64 -106.10 117.67 87.10 2.93 9.97 54.04 23.29 9.72 5.75 4.10 0.00 1.27 1.83 73 E C H 101.07 7.84 13.38 22.46 95.19 -140.71 -67.23 -26.25 51.87 0.89 47.25 16.13 10.33 24.99 30.89 16.62 0.06 0.42 0.56 74 H H H 101.86 6.51 13.19 20.90 96.16 60.65 -77.55 -19.52 41.74 0.52 57.74 11.15 7.08 22.73 40.55 17.84 0.06 0.26 0.33 75 Q H H 96.56 4.44 14.36 19.98 96.56 67.94 -69.57 -33.07 34.57 0.52 64.91 9.57 6.59 17.96 47.87 17.38 0.08 0.27 0.29 76 D H H 64.15 6.06 14.17 21.63 97.31 51.58 -77.54 -11.15 38.67 0.51 60.82 19.15 5.41 14.90 51.80 8.17 0.03 0.24 0.30 77 F H H 71.36 9.66 13.11 24.19 94.27 80.94 -64.50 -40.10 6.61 0.05 93.34 3.95 0.92 1.79 92.33 0.98 0.00 0.02 0.02 78 R H H 131.21 3.67 16.92 21.28 92.31 52.68 -64.39 -40.64 1.22 0.01 98.77 0.42 0.13 0.54 98.51 0.39 0.00 0.00 0.00 79 D H H 73.48 3.18 17.55 21.03 92.00 50.06 -65.16 -40.93 0.74 0.00 99.26 0.22 0.07 0.36 98.99 0.36 0.00 0.00 0.00 80 E H H 64.20 7.36 16.14 25.10 91.83 50.50 -64.34 -41.32 0.46 0.00 99.54 0.11 0.04 0.23 99.44 0.18 0.00 0.00 0.00 81 Q H H 66.13 8.22 16.61 26.09 91.87 50.62 -64.32 -41.28 0.39 0.00 99.61 0.08 0.03 0.20 99.60 0.09 0.00 0.00 0.00 82 L H H 74.01 4.30 17.79 22.94 91.70 50.48 -64.06 -41.58 0.23 0.00 99.77 0.05 0.01 0.11 99.78 0.05 0.00 0.00 0.00 83 R H H 111.15 3.85 18.43 22.68 91.95 50.38 -64.38 -41.35 0.18 0.00 99.82 0.03 0.01 0.09 99.83 0.04 0.00 0.00 0.00 84 L H H 54.47 7.39 15.95 24.88 91.82 50.54 -64.44 -41.65 0.17 0.00 99.83 0.02 0.01 0.10 99.82 0.05 0.00 0.00 0.00 85 K H H 71.95 6.27 14.78 22.81 91.82 50.87 -64.28 -41.19 0.36 0.00 99.64 0.05 0.02 0.22 99.58 0.13 0.00 0.00 0.00 86 K H H 117.03 3.08 15.21 19.11 92.16 50.39 -65.10 -40.40 0.92 0.00 99.08 0.08 0.05 0.71 98.78 0.39 0.00 0.00 0.00 87 L H H 100.49 4.74 13.88 19.63 91.91 51.69 -67.42 -31.29 5.64 0.01 94.35 0.15 0.19 5.47 93.75 0.43 0.01 0.00 0.00 88 R C T 133.66 4.29 12.87 18.28 93.21 49.75 -89.04 -1.40 78.41 0.03 21.56 0.32 1.26 75.58 22.19 0.60 0.00 0.01 0.03 89 G C T 57.25 2.03 12.39 15.44 96.25 -109.04 79.77 12.88 99.63 0.02 0.35 1.40 2.55 95.80 0.18 0.06 0.00 0.01 0.01 90 K C C 129.44 3.26 11.05 15.72 100.51 124.22 -90.58 0.86 98.98 0.56 0.46 58.86 37.85 2.22 0.16 0.25 0.00 0.19 0.46 91 G C S 38.47 3.53 14.74 19.27 133.03 -21.81 136.99 -176.04 98.73 1.07 0.20 41.77 55.65 1.29 0.05 0.12 0.00 0.32 0.79 92 K C C 144.45 3.13 14.95 19.51 117.02 -66.53 -87.00 139.12 99.59 0.35 0.06 91.74 7.72 0.16 0.02 0.03 0.00 0.14 0.19 93 P C C 50.75 13.57 8.81 22.42 115.67 -108.30 -66.17 149.93 98.77 0.70 0.53 95.39 2.69 0.69 0.17 0.25 0.00 0.23 0.58 94 R C C 157.05 2.42 14.03 17.42 114.96 -108.56 -75.40 148.23 96.68 1.72 1.60 85.93 7.75 2.41 0.54 0.99 0.00 0.47 1.91 95 K C T 158.67 2.16 11.40 15.05 109.26 -88.91 -63.56 135.91 91.60 1.47 6.93 17.92 23.69 50.15 2.26 4.22 0.01 0.63 1.13 96 G C T 55.11 2.22 12.77 15.73 98.04 19.25 83.78 -4.00 91.54 0.95 7.51 23.51 20.31 47.98 2.94 4.18 0.00 0.39 0.68 97 E C C 102.82 5.15 10.89 17.64 100.47 102.17 -82.23 -18.50 66.28 1.02 32.70 28.79 22.15 16.79 23.56 7.46 0.02 0.33 0.88 98 G C H 34.87 5.77 12.95 20.06 110.55 35.25 40.81 -135.76 50.28 0.74 48.98 17.48 14.04 20.27 36.92 10.44 0.05 0.30 0.50 99 K H H 130.86 2.57 13.86 16.97 94.34 14.54 -67.47 -35.88 33.42 0.72 65.86 13.49 8.15 13.25 51.78 12.56 0.06 0.35 0.35 100 R H H 130.62 2.87 13.56 17.32 93.36 53.37 -67.39 -35.88 31.20 0.96 67.84 15.45 6.62 10.68 54.45 11.85 0.05 0.49 0.41 101 A H H 38.78 7.30 10.46 19.81 94.59 55.95 -67.75 -35.95 34.23 1.02 64.74 19.87 6.38 9.36 53.41 10.01 0.02 0.51 0.43 102 M H H 106.68 4.21 11.35 17.12 95.98 56.47 -72.12 -29.41 42.69 1.18 56.13 22.39 8.43 13.23 45.85 8.95 0.03 0.57 0.54 103 K C H 144.46 2.02 10.58 13.67 99.43 62.69 -77.58 -16.20 56.47 1.37 42.16 27.50 11.52 18.51 33.85 7.25 0.03 0.61 0.73 104 K C C 141.65 2.87 8.66 13.28 105.87 79.33 -83.46 81.88 76.99 0.87 22.13 56.03 3.12 17.74 18.42 3.73 0.00 0.38 0.57 105 K C C 147.63 2.94 11.17 15.73 108.13 -132.12 -85.08 104.38 99.91 0.03 0.06 99.72 0.11 0.11 0.03 0.00 0.00 0.01 0.01