# 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 110.11 6.40 14.08 21.76 116.64 -155.62 -98.01 130.14 99.85 0.14 0.01 99.85 0.06 0.01 0.00 0.00 0.00 0.06 0.01 1 V C C 84.06 7.77 10.29 19.38 114.62 -143.64 -91.20 131.68 89.31 7.08 3.61 86.67 1.05 2.42 1.43 1.59 0.00 4.28 2.55 2 N C C 103.60 4.74 10.82 17.29 111.57 -148.05 -91.69 122.14 85.30 8.06 6.64 67.42 9.37 7.95 1.81 4.98 0.00 5.40 3.07 3 T C C 89.39 5.32 10.86 17.79 110.17 -173.26 -96.44 68.74 83.48 7.69 8.82 50.28 18.03 15.44 1.83 7.09 0.00 5.25 2.07 4 A C C 71.16 5.59 11.89 18.94 109.20 97.59 -89.97 87.81 83.84 7.59 8.57 44.31 24.91 15.34 1.90 6.38 0.01 4.99 2.17 5 Y C C 120.65 7.27 11.23 20.04 117.26 -147.99 -100.14 129.95 91.22 7.04 1.74 51.47 38.31 2.13 0.88 0.79 0.00 4.28 2.14 6 P C C 82.85 6.59 13.98 21.87 110.17 -119.74 -72.36 138.29 91.83 5.35 2.81 75.08 13.92 2.73 1.95 0.97 0.00 3.54 1.81 7 T C C 55.59 10.44 12.32 23.86 117.41 -141.43 -99.17 135.96 87.31 7.61 5.09 71.57 13.77 1.58 4.90 0.85 0.00 4.01 3.32 8 P C C 65.77 6.06 17.00 24.16 110.06 -109.47 -67.40 142.21 80.57 6.13 13.30 73.59 3.79 2.61 13.07 1.40 0.00 3.64 1.89 9 L H H 61.83 14.96 12.61 27.21 95.31 -124.35 -64.71 -32.88 21.16 1.61 77.23 15.14 3.57 4.50 70.42 4.76 0.02 1.22 0.38 10 K H H 118.37 5.70 16.63 23.24 93.78 62.91 -66.49 -36.97 13.14 2.19 84.67 7.47 2.27 4.59 76.89 6.26 0.05 2.15 0.32 11 T H H 63.58 5.02 17.39 23.27 94.74 51.92 -70.48 -38.05 10.37 3.24 86.38 5.98 1.74 3.66 78.03 6.79 0.06 3.41 0.34 12 I H H 39.48 14.43 14.35 29.10 93.99 51.75 -68.06 -40.05 9.09 3.34 87.57 4.98 1.51 3.37 80.80 5.52 0.05 3.42 0.34 13 L H H 55.67 13.47 14.60 28.19 93.68 52.20 -69.34 -33.93 17.73 2.97 79.30 7.96 2.69 8.00 72.01 6.04 0.11 2.68 0.52 14 K H H 129.99 3.96 17.78 22.45 93.91 53.14 -74.94 -25.61 34.78 1.30 63.93 7.77 4.58 22.62 58.94 4.60 0.11 0.99 0.39 15 T H H 69.36 7.14 16.47 24.46 101.28 45.46 -91.63 -22.66 49.25 1.34 49.41 12.19 10.39 27.19 45.83 3.04 0.10 0.74 0.53 16 T C C 46.57 12.19 14.91 27.54 113.64 53.07 -104.10 118.54 80.40 1.32 18.28 45.79 28.21 4.99 18.37 1.53 0.00 0.61 0.49 17 P C H 61.75 9.60 18.11 28.35 97.40 -123.54 -66.20 -31.61 51.44 2.39 46.17 28.20 8.84 13.36 41.27 5.93 0.02 1.96 0.43 18 A H H 38.15 12.37 18.37 30.84 94.94 60.20 -68.70 -34.77 31.34 15.26 53.40 17.03 5.80 8.57 45.40 7.15 0.12 14.84 1.09 19 F H H 56.28 14.70 19.02 33.32 95.51 54.50 -73.38 -30.36 17.54 30.55 51.91 10.95 2.60 3.58 44.88 5.91 0.05 31.09 0.93 20 V H H 41.75 14.02 20.22 34.00 96.55 55.25 -73.17 -33.42 12.03 40.48 47.49 7.37 1.52 1.98 44.81 2.88 0.02 40.78 0.64 21 V E E 40.17 14.14 20.22 34.11 97.85 53.68 -73.53 -33.50 9.67 46.83 43.50 5.63 1.16 1.59 43.27 2.05 0.01 45.74 0.55 22 Y E E 66.20 13.90 19.73 33.37 95.90 50.89 -71.46 -34.00 10.23 47.80 41.98 5.87 1.24 1.81 42.23 2.09 0.02 46.21 0.54 23 F E E 68.05 12.76 18.64 31.41 100.17 52.37 -81.68 -28.79 14.50 45.71 39.79 8.26 1.91 2.97 39.35 2.67 0.04 44.04 0.74 24 V E E 56.19 11.62 17.47 29.30 103.42 52.08 -84.72 -25.81 22.15 40.21 37.64 11.91 3.53 5.80 35.93 3.48 0.11 37.97 1.26 25 F C H 93.73 10.46 15.63 26.43 104.64 54.99 -87.23 21.44 42.69 26.52 30.80 18.25 8.02 16.05 27.38 4.47 0.26 23.71 1.87 26 G C T 42.51 7.22 15.50 23.33 104.89 -59.68 69.23 -16.76 74.05 7.65 18.30 24.22 13.84 35.66 15.14 3.72 0.04 6.22 1.15 27 L C T 99.03 6.36 14.64 21.92 100.82 48.25 -88.64 3.33 78.15 3.80 18.05 18.47 16.38 42.94 14.25 4.18 0.03 2.81 0.94 28 G C T 44.39 6.51 15.92 23.28 102.89 -96.92 79.73 2.08 73.62 7.21 19.17 22.33 20.73 30.74 15.29 3.97 0.06 5.61 1.28 29 F C C 84.98 11.21 14.22 26.04 112.53 110.46 -91.25 127.75 54.60 13.91 31.48 36.54 11.81 5.84 29.14 3.25 0.04 11.71 1.67 30 S H H 47.46 10.83 17.75 28.82 107.42 -117.94 -77.42 109.73 38.77 22.14 39.09 29.13 4.01 3.85 37.24 2.99 0.01 21.55 1.21 31 T H H 48.75 12.70 18.73 31.30 101.20 72.79 -81.35 -25.32 17.01 33.41 49.58 11.05 2.18 2.58 47.27 2.54 0.03 33.37 0.96 32 V H H 38.19 14.52 19.39 33.70 100.49 58.62 -74.19 -36.17 9.08 37.50 53.42 5.52 1.01 1.42 52.36 1.88 0.01 37.25 0.55 33 I H H 38.07 16.78 19.16 35.14 95.67 64.23 -68.88 -38.98 6.06 28.90 65.04 3.45 0.73 1.24 62.23 2.10 0.01 29.87 0.36 34 Y H H 77.50 11.88 19.99 31.84 94.38 52.85 -67.39 -38.54 6.83 21.36 71.81 3.71 0.95 1.86 66.82 3.28 0.02 22.97 0.38 35 D H H 51.11 11.05 19.71 31.07 93.65 51.88 -69.38 -34.62 10.74 14.41 74.85 5.37 1.61 3.70 67.75 4.94 0.07 16.06 0.51 36 V H H 34.17 15.84 17.09 32.70 95.11 51.17 -72.59 -34.46 14.75 9.89 75.36 6.05 2.28 6.78 67.80 6.13 0.14 10.16 0.66 37 V H H 56.00 12.46 17.40 29.81 95.70 53.92 -75.19 -28.50 27.98 6.97 65.05 8.14 4.40 16.02 59.19 4.87 0.20 6.29 0.87 38 Y C H 123.16 7.02 17.68 25.27 99.92 46.56 -94.06 -10.94 51.28 5.07 43.65 14.34 11.11 26.55 39.15 3.68 0.22 3.78 1.17 39 H C S 57.06 13.43 10.97 24.94 118.49 89.28 -98.04 140.63 95.44 3.62 0.94 32.60 61.95 1.23 0.85 0.17 0.00 2.35 0.85 40 P C C 67.51 3.99 16.02 20.96 113.13 -104.91 -66.25 147.08 95.91 1.93 2.17 92.70 2.55 0.81 1.98 0.27 0.00 1.01 0.67 41 K H H 121.84 6.91 11.83 20.33 93.24 -116.33 -60.10 -36.97 6.41 0.10 93.49 2.17 1.19 3.06 90.53 2.94 0.00 0.08 0.02 42 D H H 102.59 1.43 16.41 16.97 92.70 55.08 -65.87 -37.75 4.02 0.15 95.82 1.12 0.56 2.35 92.70 3.09 0.01 0.15 0.02 43 R H H 92.79 6.49 15.19 23.08 92.65 49.97 -67.28 -39.39 2.31 0.28 97.41 1.00 0.34 1.11 94.21 2.99 0.00 0.31 0.03 44 I H H 31.25 14.28 12.26 27.35 92.67 51.81 -64.87 -41.67 1.93 0.40 97.67 1.11 0.28 0.72 96.04 1.38 0.00 0.42 0.03 45 E H H 100.42 3.63 17.61 21.78 92.18 51.21 -64.69 -40.21 2.94 0.38 96.68 1.31 0.37 1.34 94.85 1.67 0.00 0.43 0.03 46 R H H 131.14 2.41 18.01 20.13 92.47 50.06 -65.87 -39.99 4.27 0.38 95.34 1.17 0.47 2.60 93.14 2.14 0.01 0.43 0.05 47 F H H 63.05 10.35 14.92 26.38 93.63 48.99 -68.17 -40.35 5.90 0.51 93.59 1.68 0.73 3.53 91.23 2.21 0.01 0.52 0.07 48 Y H H 94.30 9.37 15.50 25.59 94.06 49.92 -68.00 -38.54 12.91 1.03 86.07 3.98 1.79 7.49 83.32 2.35 0.04 0.79 0.23 49 F H H 121.96 3.21 16.48 20.01 94.90 49.99 -71.45 -32.37 23.57 1.74 74.69 7.65 3.58 12.96 71.30 2.75 0.07 1.21 0.48 50 R H H 125.83 4.58 15.52 21.02 97.52 52.05 -80.01 -22.00 32.69 2.23 65.09 12.42 6.37 14.86 61.58 2.62 0.07 1.38 0.70 51 S H H 41.41 9.47 12.40 23.02 101.19 65.94 -78.30 -17.19 40.84 2.12 57.04 20.75 8.34 11.77 54.78 2.39 0.03 1.33 0.61 52 S H H 62.65 3.78 16.16 20.58 97.61 54.71 -67.14 -33.84 33.52 1.60 64.89 15.97 5.99 11.48 62.71 2.31 0.03 1.15 0.36 53 K H H 105.35 4.81 16.52 22.13 94.22 56.54 -67.88 -37.92 20.45 1.64 77.90 10.95 3.47 6.66 75.12 2.12 0.01 1.39 0.27 54 F H H 72.08 9.92 14.27 25.19 93.69 53.24 -66.19 -40.05 10.08 1.46 88.45 6.29 1.72 2.90 85.78 1.74 0.01 1.39 0.17 55 E H H 99.81 3.97 17.50 22.10 92.52 52.64 -64.95 -40.84 5.89 1.14 92.97 3.62 1.02 1.84 90.71 1.54 0.01 1.15 0.12 56 R H H 125.23 2.54 18.22 20.42 92.60 50.29 -65.18 -41.47 5.03 0.86 94.11 2.78 0.90 1.86 91.87 1.60 0.02 0.84 0.12 57 L H H 59.88 7.11 15.85 24.45 92.62 49.95 -65.44 -41.33 5.13 0.71 94.16 2.80 0.94 1.88 92.03 1.54 0.02 0.67 0.11 58 S H H 41.80 7.41 15.62 24.44 92.23 51.46 -64.84 -40.82 6.77 0.64 92.59 3.50 1.15 2.52 90.79 1.34 0.01 0.55 0.13 59 R H H 135.99 2.17 18.16 19.80 92.40 50.21 -65.61 -40.58 10.06 0.56 89.38 4.22 1.50 4.48 88.06 1.14 0.01 0.44 0.14 60 K H H 104.74 3.09 17.59 20.82 93.07 49.33 -66.60 -39.91 13.09 0.31 86.60 7.22 1.64 4.22 85.81 0.84 0.00 0.16 0.10 61 R H H 88.91 8.26 15.40 24.73 92.47 51.54 -65.34 -41.21 9.70 0.25 90.05 7.10 0.90 2.06 88.96 0.76 0.00 0.14 0.07 62 D H H 68.18 5.65 16.45 23.22 92.15 51.15 -64.49 -40.44 6.47 0.25 93.28 4.20 0.76 1.97 91.74 1.09 0.01 0.17 0.06 63 E H H 101.39 2.16 18.04 19.51 92.03 50.15 -65.16 -40.74 5.94 0.35 93.72 2.87 0.85 2.58 91.85 1.47 0.04 0.27 0.08 64 K H H 96.86 4.23 16.70 21.76 92.18 50.49 -65.72 -40.68 7.03 0.35 92.62 3.00 1.01 3.41 90.50 1.69 0.04 0.25 0.10 65 L H H 54.58 10.11 13.72 24.90 92.56 50.35 -66.70 -39.18 8.08 0.29 91.63 3.63 1.11 3.80 88.87 2.28 0.04 0.17 0.10 66 R H H 129.03 4.52 15.76 21.24 92.83 52.78 -66.28 -37.76 8.17 0.16 91.67 2.38 0.81 4.86 87.09 4.69 0.02 0.10 0.05 67 H H H 120.47 2.02 17.08 18.47 95.87 44.94 -75.29 -37.54 14.24 0.17 85.59 1.71 1.06 11.11 80.71 5.19 0.05 0.11 0.07 68 Y H H 112.27 5.72 16.03 22.59 98.50 40.21 -83.95 -37.67 30.90 0.23 68.87 2.24 2.49 25.28 64.84 4.83 0.07 0.12 0.12 69 F H H 61.72 12.74 13.05 26.15 99.07 39.98 -89.55 -23.00 30.33 0.40 69.27 5.37 4.45 21.16 64.16 4.33 0.12 0.15 0.27 70 K H H 99.62 6.05 15.29 22.77 93.55 72.07 -61.34 -43.11 6.97 0.05 92.97 1.61 0.91 4.07 82.36 10.99 0.01 0.03 0.02 71 P H H 73.74 2.62 17.58 19.93 92.71 49.75 -65.53 -38.23 5.21 0.04 94.75 0.81 0.44 3.44 83.21 12.05 0.01 0.03 0.01 72 A H H 34.83 8.19 14.32 24.28 93.23 52.19 -67.22 -37.31 3.46 0.04 96.50 0.61 0.33 2.14 84.05 12.84 0.00 0.02 0.01 73 I H H 58.23 11.25 12.26 24.30 93.82 53.34 -68.81 -33.59 6.56 0.09 93.35 1.21 0.67 4.22 80.85 12.95 0.02 0.06 0.02 74 E H H 129.01 2.87 15.64 19.23 92.87 59.26 -68.87 -27.35 36.51 0.18 63.31 2.01 1.94 31.67 55.10 9.03 0.05 0.09 0.10 75 W C T 164.28 3.12 14.28 18.14 98.50 48.05 -92.06 -5.38 56.76 0.31 42.94 3.99 5.02 46.06 36.74 7.78 0.06 0.14 0.21 76 Q C S 73.14 10.09 10.48 21.66 113.87 97.94 -91.78 127.26 94.73 0.86 4.41 37.94 54.10 2.71 3.47 0.85 0.00 0.25 0.67 77 P C C 78.15 5.39 14.24 21.05 106.61 -133.65 -68.07 133.29 83.81 1.67 14.53 56.60 9.69 17.66 6.40 7.89 0.00 0.92 0.85 78 W C C 131.78 9.12 12.27 22.15 109.19 -130.82 -87.16 114.05 72.34 8.48 19.18 39.94 13.20 19.91 8.57 10.07 0.07 4.99 3.26 79 Y C C 119.03 8.06 12.14 21.29 113.42 65.16 -100.49 125.28 66.60 13.35 20.05 38.56 14.09 14.71 10.39 9.26 0.13 8.52 4.32 80 N C C 100.97 5.10 12.66 19.15 106.85 52.28 -89.36 83.64 73.98 10.35 15.67 43.05 16.83 14.71 8.74 6.73 0.04 7.23 2.66 81 T C C 77.36 6.53 10.40 18.45 110.03 137.74 -97.03 101.17 72.56 9.62 17.83 43.07 16.73 13.35 10.66 6.99 0.05 6.38 2.77 82 S C C 74.32 4.02 11.48 16.97 107.29 114.46 -87.43 81.35 71.98 8.02 20.00 39.09 17.07 16.81 11.11 8.31 0.05 5.26 2.29 83 T C C 89.00 4.51 10.70 16.75 106.71 133.08 -90.99 46.08 72.34 6.91 20.75 34.16 19.87 19.70 10.82 8.98 0.07 4.14 2.26 84 N C C 98.79 4.98 10.35 16.89 105.73 88.37 -90.63 69.91 75.42 6.31 18.27 38.82 19.45 18.27 8.79 8.71 0.04 3.59 2.32 85 N C C 103.65 4.41 10.47 16.55 106.26 118.26 -91.74 60.71 78.96 6.42 14.63 42.36 17.85 19.67 6.28 7.77 0.02 3.82 2.23 86 N C C 108.56 3.78 10.92 16.31 106.00 116.97 -92.21 49.61 81.14 8.15 10.70 44.01 19.28 18.76 4.06 6.23 0.02 5.12 2.52 87 T C C 86.49 4.72 10.41 16.99 112.32 127.89 -96.42 114.98 80.48 12.17 7.35 47.02 24.37 9.73 2.98 4.30 0.02 7.78 3.81 88 R C C 141.90 4.23 11.23 17.41 118.47 -152.07 -99.51 135.53 86.33 11.57 2.10 58.85 26.18 1.91 1.08 1.07 0.00 8.05 2.86 89 P C C 81.88 5.63 10.73 18.18 113.61 -108.55 -67.73 146.90 80.73 11.52 7.74 67.32 7.13 6.12 2.43 5.19 0.00 9.37 2.44 90 L C C 111.85 4.34 9.28 15.54 112.43 -128.04 -85.20 132.34 70.79 15.80 13.41 46.83 13.71 10.85 3.53 9.88 0.03 11.09 4.07 91 L C C 115.82 3.75 7.95 13.60 113.19 -144.92 -91.72 127.85 67.01 18.47 14.52 42.23 14.46 11.58 3.84 10.42 0.05 13.57 3.84 92 R C C 174.19 1.90 8.74 12.33 113.95 -152.97 -97.47 129.20 79.11 12.06 8.83 69.52 2.67 7.71 2.60 5.04 0.00 9.70 2.75 93 Y C C 155.00 4.48 9.56 15.80 110.58 -151.60 -93.04 112.46 99.79 0.19 0.03 99.71 0.10 0.06 0.01 0.00 0.00 0.10 0.02