# 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 102.53 8.30 12.01 21.32 114.88 -157.22 -90.38 130.31 99.88 0.08 0.04 99.76 0.12 0.06 0.02 0.00 0.00 0.03 0.01 1 S C C 70.37 4.78 11.10 17.45 114.11 -137.91 -86.58 143.52 85.80 1.12 13.07 78.16 1.40 7.24 9.71 2.33 0.00 0.56 0.60 2 S C C 81.39 3.46 10.72 15.78 103.86 -133.17 -84.21 19.00 73.09 1.46 25.44 45.90 13.10 13.81 19.60 6.10 0.01 0.64 0.86 3 L C C 97.22 6.04 10.90 18.35 104.31 93.46 -84.27 20.36 61.53 1.17 37.30 34.16 15.63 12.46 30.62 6.00 0.02 0.47 0.65 4 S C C 53.55 5.69 13.29 20.37 108.92 74.91 -80.78 151.20 57.24 0.95 41.80 40.78 8.97 7.22 38.64 3.52 0.00 0.37 0.50 5 E H H 110.74 5.08 15.81 21.93 94.32 -93.97 -65.71 -36.64 7.09 0.05 92.86 3.41 1.57 2.12 92.27 0.59 0.00 0.01 0.03 6 Y H H 87.33 10.42 16.04 26.98 92.70 52.12 -65.60 -40.78 2.43 0.02 97.55 0.82 0.34 1.19 97.28 0.36 0.00 0.01 0.01 7 A H H 33.80 9.18 16.52 27.12 91.98 51.03 -64.10 -41.01 1.03 0.01 98.96 0.38 0.11 0.48 98.77 0.25 0.00 0.00 0.00 8 L H H 78.75 5.12 20.00 25.60 91.92 50.42 -64.61 -41.17 0.48 0.00 99.52 0.17 0.04 0.22 99.46 0.11 0.00 0.00 0.00 9 R H H 84.08 10.07 20.05 30.43 91.92 50.16 -64.80 -41.68 0.52 0.00 99.48 0.12 0.04 0.29 99.48 0.08 0.00 0.00 0.00 10 M H H 48.12 14.74 19.44 33.91 91.78 50.39 -64.60 -41.15 0.48 0.00 99.52 0.08 0.03 0.28 99.55 0.06 0.00 0.00 0.00 11 S H H 43.19 9.13 21.42 30.95 91.72 51.45 -64.39 -41.15 0.81 0.00 99.19 0.13 0.05 0.49 99.27 0.07 0.00 0.00 0.00 12 R H H 104.23 7.04 23.08 30.35 92.08 49.86 -65.36 -41.57 0.73 0.00 99.27 0.09 0.04 0.44 99.38 0.05 0.00 0.00 0.00 13 L H H 29.77 14.17 20.46 35.05 91.98 50.26 -64.53 -42.56 0.36 0.00 99.64 0.07 0.02 0.19 99.65 0.07 0.00 0.00 0.00 14 S H H 23.05 13.28 19.25 33.19 91.78 51.20 -63.64 -41.54 0.35 0.00 99.65 0.06 0.02 0.20 99.63 0.09 0.00 0.00 0.00 15 A H H 32.11 7.90 18.53 27.89 91.85 51.13 -64.52 -41.13 0.34 0.00 99.66 0.03 0.01 0.24 99.57 0.15 0.00 0.00 0.00 16 R H H 115.94 7.04 20.01 27.48 92.70 48.07 -66.82 -40.52 0.64 0.00 99.36 0.03 0.02 0.55 99.16 0.24 0.00 0.00 0.00 17 L H H 45.46 15.53 17.17 32.29 95.95 41.58 -75.46 -38.99 2.77 0.00 97.23 0.07 0.10 2.66 96.92 0.25 0.00 0.00 0.00 18 F H H 77.39 10.32 16.09 27.33 99.37 28.48 -103.84 -3.62 19.51 0.05 80.43 1.09 2.10 15.91 80.40 0.41 0.02 0.01 0.05 19 S C T 79.54 4.73 16.26 22.28 94.67 -122.18 65.14 25.02 98.47 0.23 1.30 21.62 31.27 45.69 0.58 0.62 0.00 0.11 0.12 20 E C S 100.10 4.94 15.88 22.25 130.46 96.70 -128.76 154.39 97.60 1.39 1.01 33.96 60.11 3.66 0.39 0.56 0.00 0.61 0.71 21 V C C 77.19 9.66 12.90 23.55 114.40 -111.32 -90.54 129.49 96.83 2.01 1.16 83.86 10.91 1.85 0.42 0.70 0.00 0.92 1.34 22 A C C 53.98 9.87 13.50 24.22 103.72 -160.46 -84.52 -11.83 97.81 1.44 0.75 67.68 28.46 1.69 0.26 0.44 0.00 0.59 0.88 23 R C C 139.56 4.55 15.40 21.26 115.72 -3.45 -115.68 118.59 98.48 1.16 0.36 59.02 38.23 1.25 0.12 0.21 0.00 0.37 0.79 24 P C C 64.48 11.24 11.05 22.94 108.28 -130.57 -67.91 131.77 98.08 0.38 1.54 50.86 16.48 30.69 0.29 1.30 0.00 0.19 0.19 25 T C C 97.02 3.96 13.20 18.40 101.04 98.78 -94.47 3.97 97.09 0.56 2.35 43.28 22.65 31.18 0.60 1.69 0.00 0.23 0.36 26 D C C 68.66 5.76 11.67 19.18 114.34 107.35 -87.01 137.81 95.49 0.75 3.76 57.62 35.93 1.86 2.86 0.77 0.00 0.16 0.80 27 S H H 81.82 2.53 13.39 17.11 93.51 -130.83 -62.50 -34.77 17.13 0.10 82.78 5.79 4.02 7.64 79.41 3.03 0.02 0.03 0.05 28 K H H 117.79 4.29 15.16 20.46 92.85 55.15 -66.59 -38.66 11.23 0.06 88.70 3.04 1.50 6.37 86.07 2.94 0.01 0.03 0.03 29 S H H 28.00 11.08 12.84 25.26 92.74 51.41 -66.77 -38.55 7.38 0.07 92.55 3.18 1.01 3.20 89.62 2.92 0.00 0.04 0.03 30 M H H 82.15 5.80 16.49 23.50 92.45 53.07 -65.01 -39.27 2.55 0.02 97.42 1.35 0.35 0.86 96.60 0.82 0.00 0.01 0.00 31 K H H 103.53 3.94 18.72 23.00 92.43 52.96 -65.17 -40.93 1.01 0.01 98.98 0.40 0.12 0.43 98.74 0.30 0.00 0.01 0.00 32 V H H 43.70 10.66 16.48 28.09 92.41 50.50 -64.88 -42.79 0.61 0.01 99.38 0.19 0.06 0.29 99.21 0.25 0.00 0.00 0.00 33 V H H 49.99 9.59 16.28 27.05 92.20 50.36 -64.14 -41.71 0.62 0.01 99.37 0.16 0.05 0.32 99.17 0.29 0.00 0.00 0.00 34 K H H 118.53 3.23 18.78 22.41 92.35 50.73 -65.42 -39.83 1.46 0.01 98.53 0.23 0.11 0.97 97.99 0.70 0.00 0.01 0.00 35 L H H 68.77 7.89 15.55 24.70 92.62 50.94 -66.70 -36.28 3.99 0.02 96.00 0.37 0.27 3.10 95.04 1.21 0.01 0.00 0.00 36 F H H 84.08 11.44 13.61 25.49 94.68 50.65 -81.41 -14.98 16.62 0.07 83.31 2.05 1.57 12.68 81.93 1.68 0.02 0.03 0.04 37 S H H 64.48 6.16 14.42 21.68 99.30 71.66 -79.72 -10.81 47.90 0.39 51.71 8.58 7.42 31.91 48.86 2.76 0.05 0.14 0.27 38 E C H 110.42 4.48 14.04 19.87 113.71 77.76 -89.59 143.78 58.47 0.61 40.92 12.33 25.14 21.03 37.88 2.94 0.06 0.19 0.44 39 Q C H 99.49 5.81 14.50 21.54 113.65 -99.29 -75.99 137.71 58.18 0.65 41.18 25.80 18.05 15.15 33.53 6.80 0.02 0.24 0.40 40 P C C 45.89 10.21 12.35 23.98 104.41 -108.06 -67.68 117.83 55.07 0.73 44.21 35.22 5.74 14.55 32.45 11.27 0.01 0.35 0.43 41 L H H 77.20 8.77 12.37 22.28 95.73 -130.23 -67.45 -29.24 35.11 0.82 64.07 9.59 5.65 18.74 37.52 27.52 0.11 0.41 0.46 42 A H H 70.82 3.61 12.95 17.86 93.88 59.47 -70.48 -24.78 38.37 0.43 61.20 5.50 5.02 25.19 35.22 28.47 0.10 0.21 0.29 43 K H T 136.62 2.79 13.11 16.78 97.59 50.19 -83.86 -15.02 47.06 0.58 52.36 7.89 9.37 28.88 26.38 26.67 0.10 0.25 0.47 44 R C C 99.63 8.20 9.72 19.14 109.00 60.99 -107.70 89.05 88.26 0.50 11.24 67.39 15.60 5.25 7.83 3.25 0.00 0.15 0.54 45 K H G 135.08 3.54 12.71 18.04 95.04 174.59 -64.97 -29.35 35.33 0.25 64.43 5.82 4.33 23.25 23.80 42.51 0.01 0.13 0.15 46 E H G 117.33 3.88 13.65 18.70 94.28 61.37 -71.55 -23.62 33.70 0.38 65.91 4.66 3.98 22.79 25.23 42.88 0.04 0.20 0.20 47 T H G 45.19 11.44 11.59 23.76 98.00 55.49 -82.55 -20.10 26.97 0.78 72.25 8.42 4.36 13.30 25.97 47.19 0.02 0.46 0.28 48 Y H G 102.79 9.87 12.88 23.50 98.10 68.17 -77.15 -21.63 42.26 1.25 56.49 14.12 7.37 20.45 21.37 35.34 0.03 0.64 0.68 49 D C G 99.00 3.79 16.96 21.45 98.64 61.41 -86.62 4.41 57.47 0.99 41.54 17.90 9.21 30.19 10.53 31.07 0.01 0.49 0.60 50 W C C 103.76 10.72 14.09 25.47 101.53 94.13 -88.94 -3.71 72.55 1.76 25.69 37.80 18.36 16.94 6.91 17.91 0.01 0.73 1.35 51 Y C C 90.87 11.91 13.42 25.91 116.48 79.93 -106.18 124.51 96.63 1.52 1.85 52.95 41.18 2.46 0.96 0.69 0.00 0.46 1.31 52 P C C 46.49 11.59 13.22 25.79 116.21 -115.25 -70.61 152.99 98.77 0.54 0.69 80.02 16.98 1.80 0.33 0.28 0.00 0.20 0.39 53 N C C 87.76 4.49 16.18 21.43 112.72 -100.29 -67.75 145.00 96.96 1.35 1.69 93.89 2.39 0.67 1.26 0.24 0.00 0.34 1.21 54 H H H 116.43 6.52 11.94 20.02 93.93 -118.54 -61.57 -36.73 5.67 0.02 94.31 1.65 0.99 2.98 93.51 0.85 0.00 0.01 0.02 55 N H H 112.06 1.55 15.38 16.57 93.12 54.44 -66.56 -35.41 3.58 0.01 96.41 0.59 0.34 2.48 95.71 0.86 0.01 0.01 0.00 56 T H H 55.25 6.57 14.77 22.69 93.78 48.94 -69.36 -39.21 1.78 0.01 98.20 0.44 0.16 1.06 97.52 0.80 0.00 0.01 0.00 57 Y H H 59.20 13.77 13.19 27.34 92.52 52.76 -63.75 -42.17 0.51 0.00 99.49 0.13 0.04 0.25 99.43 0.15 0.00 0.00 0.00 58 F H H 114.73 3.93 17.86 22.48 92.14 51.11 -64.09 -40.61 0.19 0.00 99.81 0.03 0.01 0.10 99.80 0.05 0.00 0.00 0.00 59 A H H 56.36 2.93 18.68 21.51 91.70 50.52 -64.29 -41.43 0.12 0.00 99.88 0.01 0.00 0.08 99.86 0.04 0.00 0.00 0.00 60 L H H 42.14 12.34 16.53 29.64 92.20 49.37 -65.13 -41.53 0.14 0.00 99.86 0.01 0.00 0.10 99.82 0.07 0.00 0.00 0.00 61 M H H 54.25 12.80 16.27 29.54 91.99 51.28 -63.64 -40.73 0.22 0.00 99.78 0.01 0.01 0.16 99.70 0.12 0.00 0.00 0.00 62 G H H 35.86 2.96 19.11 21.90 91.84 51.57 -63.94 -41.27 1.03 0.00 98.97 0.04 0.03 0.92 98.74 0.27 0.00 0.00 0.00 63 I H H 79.54 4.73 18.07 23.36 92.41 48.41 -66.16 -41.26 1.80 0.00 98.20 0.09 0.12 1.55 97.76 0.48 0.00 0.00 0.00 64 L H H 26.34 14.94 13.18 28.89 93.00 49.28 -66.57 -39.88 2.13 0.01 97.86 0.25 0.20 1.51 94.76 3.26 0.00 0.01 0.00 65 R H H 113.81 7.99 14.29 23.40 91.73 54.21 -62.91 -40.51 2.63 0.01 97.35 0.18 0.13 2.10 89.55 8.02 0.00 0.01 0.00 66 S H H 89.06 1.24 15.89 16.46 90.73 53.91 -65.73 -27.78 9.08 0.01 90.91 0.18 0.24 9.07 82.94 7.54 0.02 0.01 0.01 67 V C T 80.26 6.04 13.66 21.05 93.62 52.02 -88.91 -1.63 72.05 0.04 27.91 0.33 1.29 71.91 22.13 4.28 0.01 0.01 0.05 68 G C T 42.61 4.58 16.12 21.90 96.42 -109.14 83.03 11.33 99.36 0.01 0.63 1.03 1.35 97.20 0.32 0.09 0.00 0.01 0.00 69 L C C 48.60 12.79 13.54 27.18 98.63 127.85 -78.95 -19.20 94.35 1.01 4.64 55.17 22.17 16.69 1.24 3.57 0.00 0.44 0.72 70 Y C C 73.52 13.49 13.10 26.90 119.11 53.95 -109.87 129.39 86.64 5.62 7.74 39.41 25.16 22.37 2.00 5.37 0.01 2.34 3.33 71 R C C 124.67 6.87 15.52 23.52 109.91 -172.05 -98.63 45.41 87.63 5.06 7.30 50.71 25.91 10.94 2.51 4.84 0.00 2.40 2.68 72 D C C 73.79 7.47 13.62 22.27 111.32 78.37 -94.38 109.42 86.55 3.29 10.16 56.11 19.60 10.41 4.56 5.72 0.00 1.51 2.08 73 E C T 109.84 6.23 13.18 20.76 97.49 -150.19 -73.39 -18.93 69.81 1.33 28.87 25.87 16.18 27.89 13.43 15.12 0.02 0.58 0.91 74 H C T 101.12 6.84 11.48 19.61 99.65 64.71 -83.72 -1.81 59.02 0.86 40.12 21.80 10.68 26.29 21.12 19.10 0.02 0.38 0.61 75 Q C T 103.87 4.44 12.73 18.65 97.85 95.14 -70.91 -27.59 55.49 0.43 44.08 9.77 9.41 35.09 28.54 16.59 0.05 0.20 0.35 76 D C H 78.10 4.76 13.84 19.79 99.63 42.73 -82.49 22.33 56.23 0.40 43.37 19.06 6.62 30.57 32.12 11.12 0.02 0.17 0.31 77 F H H 72.69 10.32 11.69 23.27 94.52 118.05 -64.29 -39.75 7.16 0.05 92.79 4.35 1.15 1.80 91.66 1.00 0.00 0.02 0.02 78 K H H 119.83 3.52 16.06 20.34 92.56 52.98 -64.18 -40.50 1.48 0.01 98.52 0.48 0.16 0.70 98.19 0.46 0.00 0.00 0.00 79 D H H 76.95 2.72 17.12 19.89 91.97 50.02 -65.34 -40.72 0.89 0.00 99.11 0.28 0.08 0.44 98.74 0.46 0.00 0.00 0.00 80 E H H 62.30 7.47 15.52 24.68 92.03 50.63 -64.26 -41.42 0.56 0.00 99.44 0.16 0.05 0.27 99.28 0.24 0.00 0.00 0.00 81 Q H H 63.98 8.56 16.16 26.02 91.82 50.61 -64.51 -41.08 0.58 0.00 99.42 0.15 0.04 0.30 99.38 0.13 0.00 0.00 0.00 82 L H H 74.81 4.15 17.73 22.67 91.66 50.74 -63.92 -41.46 0.27 0.00 99.73 0.07 0.02 0.12 99.73 0.06 0.00 0.00 0.00 83 R H H 111.05 3.91 18.52 22.79 91.92 50.36 -64.41 -41.39 0.19 0.00 99.81 0.04 0.01 0.10 99.80 0.05 0.00 0.00 0.00 84 L H H 51.21 7.85 15.84 25.30 91.90 50.32 -64.14 -41.58 0.16 0.00 99.84 0.02 0.01 0.09 99.82 0.06 0.00 0.00 0.00 85 K H H 72.01 6.24 15.11 23.08 91.76 50.93 -64.15 -41.22 0.32 0.00 99.68 0.05 0.02 0.20 99.60 0.13 0.00 0.00 0.00 86 K H H 113.46 3.29 15.51 19.59 92.13 50.25 -64.81 -40.60 0.84 0.00 99.16 0.07 0.04 0.66 98.82 0.40 0.00 0.00 0.00 87 L H H 94.73 5.32 14.17 20.44 91.96 51.14 -67.24 -33.61 5.27 0.01 94.72 0.14 0.17 5.13 94.10 0.44 0.01 0.00 0.00 88 R C T 127.05 4.77 13.09 19.02 92.85 48.29 -88.53 -2.86 77.04 0.03 22.93 0.31 1.16 74.40 23.51 0.59 0.00 0.01 0.03 89 G C T 53.45 2.87 12.06 16.32 95.46 -112.86 77.49 13.05 99.71 0.01 0.28 1.34 2.42 96.05 0.13 0.05 0.00 0.00 0.00 90 K C C 133.63 2.66 12.52 16.23 96.68 120.24 -86.62 -17.93 99.39 0.41 0.20 50.54 47.80 1.06 0.07 0.10 0.00 0.13 0.31 91 V C S 69.21 5.66 12.26 19.85 131.62 24.35 -133.91 152.60 98.55 1.33 0.12 39.21 58.78 0.53 0.04 0.05 0.00 0.31 1.07 92 K C C 141.78 3.19 15.70 20.27 115.26 -111.99 -80.57 138.20 99.69 0.27 0.04 96.05 3.61 0.07 0.01 0.01 0.00 0.11 0.13 93 P C C 46.66 14.80 8.62 23.07 116.15 -108.53 -65.59 150.06 99.03 0.58 0.39 96.60 1.98 0.46 0.13 0.16 0.00 0.17 0.49 94 R C C 156.18 2.25 14.48 17.48 115.06 -108.90 -75.40 150.39 96.94 1.45 1.61 85.85 8.31 2.03 0.60 0.95 0.00 0.32 1.93 95 K C T 161.24 1.91 11.59 14.85 109.14 -85.91 -62.28 136.05 91.17 0.96 7.87 8.71 18.41 64.13 2.77 4.62 0.01 0.41 0.95 96 G C T 55.26 2.20 12.93 15.76 97.10 18.30 83.80 -4.15 90.79 0.55 8.66 13.05 15.67 62.22 3.77 4.56 0.00 0.23 0.50 97 E C H 97.73 5.69 11.03 18.32 99.66 104.55 -80.40 -17.16 56.27 0.79 42.94 19.06 19.94 19.31 33.64 7.05 0.06 0.25 0.69 98 G H H 33.97 6.01 13.20 20.55 109.71 40.86 0.87 -121.82 41.40 0.62 57.98 12.32 11.24 19.98 47.97 7.75 0.09 0.26 0.39 99 K H H 127.85 2.55 14.54 17.56 93.53 24.66 -67.26 -38.37 26.15 0.61 73.24 11.67 6.32 10.38 62.90 8.09 0.06 0.31 0.28 100 R H H 125.95 3.05 13.93 17.90 92.52 52.00 -66.32 -38.26 24.03 0.73 75.25 12.79 5.09 8.30 65.71 7.38 0.04 0.38 0.30 101 A H H 37.91 6.97 11.10 20.21 92.74 53.31 -66.10 -37.68 26.14 0.68 73.18 14.70 4.92 8.14 64.18 7.41 0.02 0.34 0.28 102 A H H 62.54 4.11 11.38 17.14 93.43 55.71 -69.61 -31.01 34.23 0.72 65.05 15.89 6.64 13.15 56.10 7.50 0.04 0.34 0.34 103 K C H 146.44 1.79 10.86 13.53 96.98 57.80 -76.19 -21.74 50.23 0.98 48.79 20.78 10.13 20.95 40.51 6.63 0.04 0.41 0.56 104 K C C 141.19 2.87 8.76 13.35 103.98 76.16 -81.46 38.40 73.16 0.72 26.12 49.38 3.04 20.60 22.47 3.72 0.00 0.30 0.49 105 K C C 148.92 2.78 11.40 15.73 107.78 -137.51 -83.66 97.92 99.91 0.03 0.06 99.72 0.11 0.12 0.04 0.00 0.00 0.01 0.01