# 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 V C C 68.23 8.92 14.34 23.75 99.11 83.91 -78.81 -15.09 98.88 0.38 0.74 98.81 0.15 0.13 0.65 0.03 0.00 0.14 0.08 1 A H H 54.39 5.21 12.25 18.93 94.03 76.10 -63.22 -40.86 24.85 0.21 74.94 22.31 0.67 2.56 73.43 0.89 0.00 0.08 0.07 2 A H H 68.36 1.85 13.03 15.14 93.41 52.18 -65.47 -39.16 5.98 0.06 93.96 2.48 0.84 2.68 92.54 1.41 0.00 0.03 0.02 3 F H H 116.74 2.74 12.97 16.58 93.11 50.72 -65.87 -40.42 2.35 0.05 97.60 0.87 0.33 1.19 96.02 1.54 0.00 0.03 0.01 4 L H H 77.43 5.66 12.34 19.36 92.88 49.77 -65.98 -40.33 1.44 0.04 98.52 0.58 0.22 0.71 97.30 1.16 0.00 0.03 0.01 5 K H H 117.32 2.78 14.30 17.83 92.63 51.37 -64.91 -40.35 1.96 0.03 98.00 0.56 0.24 1.18 97.00 0.99 0.01 0.02 0.01 6 N H H 91.86 1.97 15.26 16.94 93.29 49.17 -66.29 -39.23 4.14 0.04 95.82 0.68 0.38 3.06 94.61 1.22 0.01 0.02 0.01 7 V H H 65.12 4.92 13.30 19.78 93.06 50.28 -66.57 -39.68 8.45 0.05 91.51 1.05 0.79 6.39 89.12 2.59 0.02 0.02 0.02 8 W H H 120.43 6.98 12.02 20.36 93.52 51.53 -70.08 -29.02 21.88 0.16 77.96 2.97 1.97 16.51 72.40 5.91 0.06 0.08 0.10 9 A H H 75.33 2.86 13.50 17.20 93.73 60.29 -72.95 -20.17 48.46 0.22 51.32 4.32 3.90 39.01 47.98 4.50 0.03 0.10 0.15 10 K C T 144.84 1.84 13.83 15.76 101.08 52.19 -88.73 -14.98 62.68 0.44 36.88 7.41 11.44 42.96 33.58 4.08 0.04 0.17 0.32 11 E C S 97.71 5.81 11.52 18.94 115.92 22.66 -102.89 127.02 90.71 0.71 8.58 36.88 49.33 3.64 8.69 0.79 0.00 0.20 0.47 12 P C C 70.89 5.67 12.66 19.94 106.93 -120.02 -67.95 133.40 74.79 1.09 24.12 64.39 3.45 4.56 25.42 1.25 0.00 0.42 0.51 13 V H H 85.52 6.22 12.63 20.10 94.83 -145.61 -65.66 -35.70 13.54 0.39 86.07 7.35 2.44 4.33 84.32 1.27 0.01 0.17 0.13 14 L H H 99.15 3.21 14.91 18.77 93.28 54.46 -66.22 -39.08 4.58 0.17 95.25 1.98 0.64 2.09 93.97 1.17 0.01 0.11 0.04 15 V H H 77.99 3.22 16.12 19.74 92.76 49.76 -66.29 -41.01 1.67 0.05 98.28 0.70 0.21 0.77 97.45 0.84 0.00 0.03 0.01 16 A H H 42.99 6.15 15.07 22.76 92.16 50.90 -64.39 -41.39 0.80 0.01 99.19 0.27 0.08 0.39 98.76 0.50 0.00 0.01 0.00 17 S H H 45.96 6.27 15.42 23.05 92.05 50.95 -64.64 -40.86 0.74 0.00 99.26 0.17 0.06 0.42 98.98 0.37 0.00 0.00 0.00 18 F H H 117.60 2.90 17.88 20.82 92.26 50.02 -65.76 -40.60 0.74 0.00 99.26 0.12 0.05 0.48 99.03 0.32 0.00 0.00 0.00 19 A H H 53.53 4.27 17.07 21.89 92.18 50.63 -64.92 -41.54 1.08 0.01 98.92 0.15 0.07 0.75 98.68 0.35 0.00 0.00 0.00 20 I H H 79.19 6.26 16.85 23.92 92.42 48.70 -65.53 -41.20 1.49 0.01 98.51 0.17 0.10 1.09 98.15 0.48 0.00 0.00 0.00 21 A H H 53.18 4.67 16.42 22.03 91.83 51.43 -64.22 -40.99 2.78 0.01 97.21 0.25 0.16 2.20 96.15 1.23 0.00 0.00 0.00 22 G H H 37.42 2.85 16.96 19.92 91.93 50.79 -64.87 -39.92 7.59 0.01 92.40 0.42 0.34 6.76 89.90 2.56 0.01 0.01 0.01 23 L H H 83.95 4.53 15.79 21.18 92.50 50.67 -67.52 -36.66 5.50 0.02 94.47 0.51 0.38 4.34 88.42 6.32 0.01 0.01 0.01 24 A H H 48.12 7.27 12.97 21.80 92.22 56.06 -65.41 -35.84 8.37 0.07 91.55 0.81 0.56 6.35 77.60 14.57 0.03 0.05 0.03 25 V H H 103.31 2.12 15.51 17.82 93.13 51.51 -71.86 -29.02 21.73 0.10 78.17 0.89 1.03 19.21 65.08 13.59 0.07 0.06 0.06 26 I H H 112.51 2.40 14.50 17.16 96.47 50.42 -83.21 -21.38 29.14 0.30 70.56 2.03 3.24 23.64 60.09 10.37 0.27 0.15 0.22 27 L H G 78.15 7.83 10.12 19.30 104.27 81.07 -77.70 28.05 35.69 1.06 63.25 17.93 9.16 9.03 30.91 31.98 0.03 0.51 0.45 28 P H G 86.02 4.62 12.34 18.37 95.48 56.10 -68.60 -23.64 26.15 0.77 73.08 10.59 3.71 11.21 26.08 47.69 0.01 0.49 0.21 29 T H G 103.37 2.04 12.97 15.62 97.17 55.58 -81.66 -7.74 27.89 1.11 70.99 8.13 4.82 14.60 24.90 46.45 0.07 0.65 0.40 30 L C G 109.44 3.91 11.81 17.10 104.95 68.19 -91.76 20.90 48.58 3.72 47.70 18.28 14.17 18.04 17.04 28.47 0.19 1.67 2.14 31 S C C 50.50 8.40 9.27 19.04 116.51 98.30 -97.97 129.07 91.67 3.20 5.12 54.13 32.39 5.12 2.71 2.27 0.00 1.24 2.12 32 P C T 92.59 3.81 12.97 18.16 99.21 -138.33 -69.88 -16.13 85.54 1.88 12.57 28.48 27.36 30.36 6.16 5.76 0.01 0.86 1.00 33 Y C C 134.03 5.88 11.51 18.80 105.34 60.00 -92.84 47.52 80.06 3.73 16.21 30.34 25.77 24.86 9.40 5.97 0.05 1.62 1.98 34 T C C 61.41 6.07 11.90 19.58 118.52 111.01 -89.47 154.42 72.49 4.10 23.41 52.26 14.83 5.20 20.24 3.43 0.01 1.43 2.61 35 K H H 145.82 2.17 14.21 16.89 93.77 -108.13 -63.18 -37.17 6.94 0.08 92.99 2.26 1.66 3.28 91.63 1.08 0.01 0.03 0.04 36 Y H H 134.60 2.90 15.62 18.98 92.94 51.24 -66.85 -39.82 3.36 0.05 96.59 0.84 0.46 2.01 95.67 0.96 0.01 0.02 0.02 37 S H H 29.47 9.77 12.89 24.36 92.52 51.39 -65.36 -40.69 1.68 0.03 98.29 0.62 0.20 0.80 97.51 0.83 0.00 0.02 0.01 38 L H H 68.58 6.59 14.99 23.12 92.08 51.16 -64.62 -40.83 0.81 0.02 99.18 0.26 0.08 0.40 98.79 0.46 0.00 0.01 0.00 39 M H H 95.81 2.60 17.54 19.97 92.21 50.16 -65.12 -41.12 0.77 0.02 99.21 0.20 0.07 0.44 98.78 0.49 0.00 0.02 0.00 40 I H H 70.18 5.98 15.71 22.98 92.41 49.30 -65.98 -40.83 1.11 0.02 98.87 0.20 0.09 0.72 98.40 0.57 0.00 0.01 0.00 41 N H H 53.53 11.42 12.44 24.74 92.27 52.20 -67.04 -34.93 3.84 0.02 96.14 0.44 0.26 2.95 95.31 1.01 0.00 0.01 0.01 42 R H H 157.70 2.85 15.70 19.54 92.36 55.56 -68.92 -27.62 15.15 0.02 84.83 0.54 0.65 14.16 83.37 1.24 0.02 0.01 0.01 43 A H H 77.62 2.48 14.72 17.38 95.36 50.64 -82.37 -13.75 27.34 0.07 72.59 1.09 2.39 23.61 71.84 0.97 0.04 0.02 0.05 44 T C S 54.49 8.93 9.85 20.28 118.90 67.36 -115.67 124.81 98.14 1.26 0.60 28.35 69.00 0.86 0.44 0.13 0.00 0.36 0.86 45 P C C 92.68 3.95 13.54 18.84 98.10 -138.56 -69.01 -10.47 88.96 2.65 8.38 42.30 13.89 32.18 1.06 8.11 0.00 1.59 0.89 46 Y C T 118.94 8.62 11.33 20.95 116.16 79.02 -98.75 130.76 84.01 7.54 8.45 31.16 19.49 33.83 1.01 7.78 0.01 4.10 2.63 47 N C C 102.96 4.66 15.07 21.21 113.06 -151.25 -100.60 119.66 83.96 8.52 7.51 51.69 19.79 11.58 1.23 7.32 0.00 4.80 3.59 48 Y C C 94.78 11.43 10.43 22.53 116.77 -152.46 -102.30 126.31 91.25 7.98 0.77 65.14 23.66 2.45 0.25 0.61 0.00 4.33 3.57 49 P C C 90.02 4.49 15.09 20.70 99.15 -144.35 -72.61 -1.45 95.40 3.95 0.65 49.89 41.70 4.22 0.17 0.48 0.00 2.17 1.36 50 V C S 71.21 8.21 10.12 19.78 120.33 85.58 -107.61 136.02 90.93 7.37 1.70 38.63 49.00 3.80 0.65 0.90 0.00 3.42 3.60 51 P C C 81.91 4.63 12.64 18.82 112.57 -107.71 -67.55 148.54 90.66 5.45 3.89 71.85 12.41 6.13 1.12 2.84 0.00 3.33 2.32 52 L C C 113.12 4.49 10.04 16.49 114.79 -122.77 -89.32 134.71 80.21 12.02 7.77 57.10 14.27 7.78 2.79 5.07 0.02 5.67 7.29 53 R C C 146.72 4.42 9.25 15.51 113.81 -145.23 -92.34 134.81 80.02 10.49 9.49 52.24 14.89 12.34 2.67 6.95 0.01 5.40 5.50 54 D C C 102.33 3.44 9.43 14.50 108.30 -149.83 -91.89 103.59 80.71 7.88 11.42 39.46 19.99 21.54 2.18 9.07 0.02 3.69 4.06 55 D C T 114.06 2.39 10.45 14.12 99.28 -115.23 -80.77 17.16 86.93 2.33 10.74 21.65 21.83 43.11 1.50 9.41 0.01 1.12 1.38 56 G C T 50.52 4.09 10.08 15.74 100.58 -99.76 79.75 4.69 90.80 1.53 7.67 18.45 29.26 42.43 0.81 7.45 0.00 0.75 0.84 57 N C C 108.25 2.85 10.98 15.28 103.65 112.01 -90.98 24.85 89.24 6.14 4.63 41.61 31.37 15.87 0.71 4.24 0.00 2.56 3.65 58 M C C 91.93 6.62 9.11 17.39 111.61 70.72 -100.15 110.67 91.53 7.59 0.88 66.33 22.45 2.22 0.23 0.74 0.00 3.12 4.90 59 P C T 87.17 4.86 11.00 17.63 105.10 -138.06 -68.46 37.37 94.44 3.09 2.46 25.80 13.40 55.23 0.33 2.29 0.00 1.91 1.03 60 D C T 118.25 2.02 12.98 15.87 99.60 44.58 -89.80 9.03 95.49 2.68 1.83 19.32 18.81 57.28 0.21 1.87 0.00 1.79 0.73 61 V C S 74.67 7.12 10.27 19.24 119.04 96.46 -105.27 132.58 91.42 7.91 0.68 39.75 50.33 1.77 0.20 0.45 0.00 3.25 4.26 62 P C C 74.16 6.21 12.31 20.23 114.39 -106.91 -67.28 150.32 93.22 5.93 0.85 81.09 8.51 3.18 0.20 0.75 0.00 3.17 3.10 63 S C C 74.84 5.56 12.51 19.60 104.99 -125.16 -79.62 115.76 94.25 4.58 1.16 54.47 35.42 4.11 0.29 0.91 0.00 1.82 2.97 64 H C C 105.23 6.18 12.47 20.17 117.65 -110.45 -103.23 129.56 94.78 3.50 1.71 59.34 30.03 4.94 0.33 1.47 0.00 1.29 2.62 65 P C T 71.06 8.32 10.75 20.41 107.95 -119.71 -68.54 145.37 94.89 1.18 3.94 39.14 14.44 40.66 0.40 4.19 0.00 0.59 0.58 66 Q C T 136.44 2.53 12.56 16.30 101.68 -116.26 -86.28 -1.08 93.16 2.43 4.41 30.99 22.15 39.61 0.51 4.35 0.00 1.10 1.29 67 D C C 75.05 5.54 10.85 18.24 113.84 90.78 -95.82 125.31 95.80 3.25 0.96 54.77 38.11 2.47 0.26 0.66 0.00 1.00 2.73 68 P C T 101.11 4.25 11.02 17.24 96.29 -141.83 -67.44 -12.55 97.56 0.61 1.83 20.89 23.78 52.74 0.26 1.70 0.00 0.33 0.31 69 Q C T 128.25 2.81 12.78 16.64 100.20 65.99 -90.29 -2.63 91.95 5.18 2.87 21.30 25.04 46.00 0.57 2.26 0.01 2.60 2.24 70 G C S 26.92 7.68 13.05 22.10 129.22 -111.53 118.07 -171.84 93.06 5.66 1.28 29.29 60.96 2.97 0.49 0.66 0.00 2.32 3.32 71 P C C 75.83 6.26 15.39 22.62 110.52 -36.49 -69.91 142.33 93.07 3.27 3.66 62.94 23.12 7.02 1.84 1.66 0.00 1.45 1.95 72 S C C 42.09 8.98 14.25 24.53 117.07 -127.18 -89.38 149.36 84.15 3.75 12.10 70.60 8.66 3.73 10.81 1.84 0.00 1.11 3.24 73 L H H 73.10 9.23 12.60 23.03 94.84 -122.70 -66.30 -27.64 14.93 0.30 84.77 7.85 3.12 5.44 77.13 6.14 0.02 0.15 0.14 74 E H H 109.80 2.34 15.69 18.27 92.26 67.10 -63.46 -38.20 5.27 0.08 94.65 1.36 0.68 3.08 84.87 9.92 0.01 0.06 0.02 75 W H H 90.71 6.78 12.22 20.98 92.35 53.18 -64.94 -39.62 2.97 0.04 96.99 0.65 0.33 1.79 85.31 11.87 0.00 0.03 0.01 76 L H H 63.05 10.00 10.37 21.39 92.91 52.63 -67.31 -35.46 3.93 0.04 96.04 0.85 0.45 2.35 84.63 11.68 0.00 0.02 0.01 77 K H H 137.97 2.61 11.96 15.86 92.67 56.46 -67.91 -29.57 23.70 0.15 76.15 2.35 1.87 18.93 67.72 8.93 0.04 0.07 0.10 78 R C H 170.77 1.39 12.21 13.77 96.32 52.48 -82.65 -8.88 52.81 0.16 47.03 11.68 1.16 39.40 43.14 4.43 0.00 0.05 0.13 79 L C C 85.00 9.52 9.88 20.02 101.01 98.38 -72.91 9.05 99.71 0.03 0.26 98.98 0.27 0.46 0.25 0.02 0.00 0.01 0.01