# 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 100.11 9.11 13.66 23.48 114.42 -164.76 -97.43 131.31 99.48 0.47 0.05 99.21 0.29 0.13 0.02 0.01 0.00 0.25 0.08 1 G C C 43.47 6.21 12.05 19.59 119.52 -165.56 -114.58 169.62 93.03 5.54 1.43 84.33 2.30 6.56 0.49 0.73 0.00 3.43 2.17 2 G C C 48.98 4.52 10.57 16.64 115.00 -120.34 -108.59 170.39 88.86 7.84 3.29 52.91 20.01 15.96 0.78 2.68 0.00 4.57 3.07 3 H C C 139.77 3.15 9.72 14.39 110.97 -110.91 -94.10 116.13 85.32 8.96 5.72 45.92 23.83 16.04 1.25 4.52 0.01 4.90 3.54 4 D C C 104.66 3.49 9.23 14.38 109.57 -145.70 -88.61 101.27 85.85 7.20 6.95 47.17 23.88 15.11 1.46 5.56 0.01 4.04 2.78 5 H C C 140.21 3.03 8.89 13.50 106.18 116.78 -88.22 51.62 87.53 6.39 6.08 52.64 19.77 15.17 1.43 4.77 0.00 3.53 2.70 6 H C C 139.54 2.89 9.10 13.62 109.09 109.82 -92.97 95.93 90.64 5.64 3.72 57.04 23.23 10.21 0.98 2.84 0.00 2.68 3.02 7 H C C 130.91 3.47 8.84 14.26 117.82 -148.56 -99.21 136.42 95.03 4.05 0.92 63.46 29.56 2.23 0.29 0.61 0.00 1.94 1.91 8 P C C 94.28 3.45 9.65 14.92 114.08 -102.85 -70.03 149.20 96.61 1.92 1.46 75.38 12.21 8.91 0.31 1.23 0.00 1.20 0.75 9 S C C 88.04 2.35 10.18 14.25 110.63 -108.86 -75.64 134.38 93.96 4.40 1.64 70.73 16.16 6.76 0.39 1.40 0.00 2.23 2.32 10 V C C 94.82 5.08 8.86 15.91 117.69 -127.48 -98.09 136.35 93.15 6.30 0.54 67.63 24.66 1.27 0.19 0.35 0.00 3.21 2.70 11 P C C 92.93 3.59 11.84 17.12 114.42 -105.32 -67.71 148.12 95.53 3.76 0.71 84.30 9.39 1.78 0.25 0.42 0.00 2.07 1.78 12 E C C 117.67 6.39 10.98 19.17 115.13 -110.84 -82.68 136.58 96.46 2.88 0.66 81.11 14.35 0.75 0.40 0.23 0.00 0.98 2.19 13 P C C 54.38 8.51 11.07 21.30 114.65 -106.14 -67.50 149.09 94.10 0.59 5.32 86.27 5.46 2.38 4.41 0.89 0.00 0.23 0.36 14 P H H 90.31 3.73 14.44 19.17 93.03 -113.27 -60.67 -33.36 41.34 0.61 58.06 16.31 6.51 19.41 47.10 10.01 0.04 0.32 0.31 15 Y H H 105.47 7.85 13.47 22.21 94.01 56.17 -68.06 -36.22 30.54 0.92 68.54 9.52 5.25 16.72 55.43 12.00 0.14 0.55 0.39 16 A H H 38.12 9.63 12.64 23.57 93.43 56.52 -66.64 -36.57 16.41 1.06 82.53 9.02 3.07 5.56 66.95 14.35 0.03 0.75 0.26 17 K H H 115.99 4.26 15.94 21.11 93.37 54.32 -66.90 -36.81 14.29 1.63 84.08 7.45 2.70 5.60 70.08 12.48 0.07 1.29 0.34 18 Y H H 117.16 5.71 15.11 21.77 94.40 50.59 -70.79 -35.12 17.99 2.56 79.45 8.70 3.38 7.67 66.67 10.87 0.14 2.02 0.56 19 L H H 74.39 9.59 13.36 23.58 96.07 52.55 -74.52 -28.72 25.65 3.25 71.10 12.91 5.25 10.28 60.81 7.41 0.17 2.19 0.98 20 A H H 56.44 7.62 13.01 21.75 98.48 60.65 -74.16 -25.14 41.68 2.65 55.68 18.64 8.77 16.94 47.74 5.28 0.15 1.45 1.03 21 N C H 101.09 4.23 13.75 19.17 101.25 58.50 -85.33 15.60 58.41 2.45 39.15 24.97 11.21 23.69 31.04 6.70 0.08 1.25 1.05 22 K C C 123.27 5.89 11.76 18.92 103.69 89.78 -82.85 15.58 63.29 3.95 32.77 28.21 13.35 22.63 21.97 9.94 0.11 2.01 1.78 23 S C C 68.29 5.78 11.86 19.02 108.37 91.21 -90.34 91.80 70.65 5.43 23.92 33.94 13.43 23.98 13.12 10.14 0.06 2.97 2.35 24 H C C 131.90 4.61 12.31 18.35 104.21 99.18 -87.37 18.89 77.27 6.88 15.85 31.24 20.27 27.26 6.47 8.21 0.07 3.76 2.73 25 Y C C 144.10 5.46 12.41 19.12 106.42 94.25 -94.13 43.47 83.93 8.49 7.57 38.42 25.14 21.34 2.33 4.77 0.02 4.51 3.46 26 C C C 59.83 9.77 10.20 20.96 119.59 96.34 -101.36 140.00 91.25 7.95 0.79 51.87 37.36 2.65 0.23 0.57 0.00 3.95 3.36 27 P C C 64.40 6.67 12.49 20.79 116.66 -103.67 -69.49 154.60 95.17 3.59 1.25 72.57 17.70 4.70 0.26 1.18 0.00 2.03 1.57 28 P C C 95.87 4.52 12.44 18.50 106.13 -101.40 -66.81 140.35 92.16 2.50 5.34 36.93 20.98 33.81 0.54 5.52 0.00 1.31 0.91 29 D C C 109.98 3.02 12.91 17.23 108.01 -99.60 -89.74 94.73 88.17 5.30 6.53 32.52 23.67 32.12 0.72 6.30 0.00 2.96 1.71 30 F C C 93.57 10.03 10.67 21.52 116.37 66.45 -106.60 122.02 86.79 9.93 3.28 54.90 27.36 4.42 0.80 2.69 0.00 5.20 4.62 31 H C C 123.05 5.08 15.64 21.69 107.52 -157.70 -88.95 87.44 87.96 10.62 1.42 68.12 15.75 3.48 0.45 1.10 0.00 5.96 5.14 32 Y C C 77.00 14.25 10.26 24.40 120.27 91.32 -103.55 138.51 86.37 12.68 0.95 56.61 27.59 2.49 0.37 0.60 0.00 5.18 7.16 33 S C C 45.46 7.12 14.72 23.33 113.25 -106.56 -69.32 146.21 91.39 7.06 1.55 77.57 10.10 3.23 0.55 1.00 0.00 3.35 4.20 34 R C S 155.51 5.67 13.55 20.65 94.52 -134.13 -71.11 -19.34 88.90 2.08 9.01 11.25 43.34 35.31 2.27 5.59 0.02 1.03 1.19 35 E C T 126.91 3.47 15.34 19.52 100.77 61.38 -89.79 2.59 83.17 7.27 9.56 13.92 34.30 36.22 2.64 5.89 0.10 4.02 2.92 36 I C C 64.13 11.67 11.22 23.53 113.83 84.21 -95.14 132.20 71.65 19.36 8.98 39.28 21.26 11.60 3.26 5.55 0.19 10.09 8.78 37 Y C C 125.18 7.19 14.38 22.65 108.14 -153.53 -89.97 101.22 72.74 22.77 4.49 50.08 15.33 6.00 2.07 2.70 0.03 12.96 10.83 38 A C C 44.80 9.79 12.62 23.51 120.82 150.29 -106.44 138.53 78.18 18.92 2.90 50.39 23.28 4.76 1.05 1.97 0.02 10.53 8.01 39 P C T 78.48 7.41 13.14 21.64 101.07 -121.20 -69.29 -13.01 81.83 6.33 11.85 22.05 21.29 39.05 1.60 10.12 0.02 3.65 2.21 40 Y C T 147.82 5.04 13.28 19.32 103.96 48.89 -83.28 56.74 83.82 3.81 12.37 10.64 18.53 54.03 1.58 11.02 0.02 2.18 2.00 41 G C T 45.57 5.42 14.55 20.97 102.97 -12.45 87.12 0.55 85.14 3.93 10.93 16.46 24.81 43.63 1.45 9.65 0.01 2.04 1.95 42 G C C 26.05 10.04 12.46 23.35 121.87 115.01 -88.56 -162.26 76.55 9.99 13.46 34.05 22.10 21.58 2.44 10.29 0.04 4.62 4.89 43 Y C T 123.19 8.73 14.38 23.48 96.81 -53.08 -74.91 -20.84 69.43 13.07 17.50 18.20 20.14 32.74 3.29 12.77 0.26 6.54 6.07 44 F C T 116.70 7.13 16.03 23.67 100.41 51.28 -89.01 -2.61 70.99 12.15 16.86 18.67 20.65 33.45 3.08 12.41 0.20 6.35 5.20 45 N C C 62.35 11.17 14.13 25.84 113.39 66.79 -100.89 128.37 74.21 14.45 11.33 40.05 19.53 15.04 2.83 8.26 0.06 7.08 7.14 46 D C C 78.73 7.92 16.61 25.36 110.78 -146.61 -109.02 105.08 90.18 9.24 0.58 64.21 25.15 0.95 0.28 0.32 0.00 4.18 4.92 47 P C C 43.68 14.27 11.85 26.37 113.87 -157.47 -70.82 147.68 90.85 4.97 4.18 75.33 8.27 6.67 1.65 2.49 0.00 2.48 3.11 48 K C T 157.03 1.81 17.38 19.09 103.64 -115.86 -70.15 85.34 95.21 0.43 4.36 3.18 10.93 81.59 1.54 2.21 0.00 0.20 0.35 49 G C T 32.50 7.38 15.06 23.75 98.98 30.57 -94.48 12.20 95.01 0.37 4.62 10.85 8.54 75.97 2.19 2.00 0.00 0.17 0.28 50 W H H 68.04 15.96 12.22 28.13 93.50 130.67 -60.12 -41.07 5.08 0.04 94.88 2.71 1.00 1.82 93.56 0.87 0.00 0.01 0.02 51 R H H 142.38 3.92 18.59 23.36 91.65 52.64 -64.04 -41.22 0.91 0.00 99.09 0.16 0.10 0.56 98.77 0.42 0.00 0.00 0.00 52 T H H 73.89 2.72 20.97 22.90 91.80 48.81 -65.54 -40.99 0.42 0.00 99.57 0.07 0.04 0.25 99.27 0.36 0.00 0.00 0.00 53 N H H 32.39 13.15 16.35 30.47 92.02 50.35 -64.98 -41.10 0.25 0.00 99.75 0.05 0.02 0.14 99.66 0.14 0.00 0.00 0.00 54 T H H 37.32 13.83 17.69 31.60 92.17 50.67 -65.10 -41.36 0.16 0.00 99.84 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 55 A H H 58.95 2.98 21.51 23.86 91.61 50.43 -64.20 -42.00 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 56 I H H 86.00 3.81 21.48 25.07 91.80 48.83 -64.81 -42.37 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 57 A H H 23.17 14.37 16.80 31.72 92.19 50.04 -64.73 -42.08 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 58 T H H 58.55 8.97 18.82 28.13 91.77 50.15 -64.19 -41.65 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 59 L H H 100.83 1.87 21.36 21.61 91.79 49.63 -64.68 -41.64 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 60 V H H 66.55 5.81 19.29 25.58 92.10 49.03 -65.72 -41.66 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 61 M H H 53.20 13.84 16.87 30.52 92.03 50.06 -64.56 -42.05 0.10 0.00 99.90 0.01 0.00 0.08 99.90 0.01 0.00 0.00 0.00 62 L H H 84.63 5.46 19.68 25.66 91.64 49.58 -64.24 -41.95 0.09 0.00 99.90 0.00 0.00 0.07 99.91 0.01 0.00 0.00 0.00 63 A H H 62.60 2.19 21.26 22.11 91.69 49.64 -64.57 -41.79 0.13 0.00 99.87 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 64 G H H 26.57 7.74 18.60 27.07 92.11 49.30 -65.31 -41.20 0.32 0.00 99.68 0.01 0.01 0.25 99.69 0.04 0.00 0.00 0.00 65 A H H 32.91 12.10 17.00 29.34 92.13 50.74 -64.86 -41.63 0.43 0.00 99.57 0.03 0.02 0.32 99.58 0.05 0.00 0.00 0.00 66 Y H H 124.71 3.65 20.46 24.19 91.65 51.19 -63.84 -41.71 0.52 0.00 99.48 0.04 0.03 0.37 99.48 0.08 0.00 0.00 0.00 67 A H H 57.11 2.93 20.44 22.89 91.78 50.33 -64.67 -41.99 0.49 0.00 99.50 0.04 0.02 0.37 99.49 0.08 0.00 0.00 0.00 68 V H H 50.83 9.87 18.09 28.27 91.96 49.56 -64.67 -42.37 0.26 0.00 99.74 0.02 0.01 0.19 99.73 0.05 0.00 0.00 0.00 69 F H H 78.44 10.40 17.69 28.32 91.64 50.18 -63.63 -41.83 0.21 0.00 99.78 0.02 0.01 0.15 99.77 0.05 0.00 0.00 0.00 70 C H H 69.51 3.12 20.27 23.08 91.83 49.65 -64.74 -41.41 0.34 0.00 99.65 0.02 0.02 0.25 99.64 0.07 0.00 0.00 0.00 71 F H H 96.21 4.03 20.11 24.13 91.91 48.74 -65.21 -41.67 0.43 0.00 99.57 0.03 0.02 0.31 99.51 0.13 0.00 0.00 0.00 72 G H H 14.62 12.55 14.98 28.79 91.74 51.14 -64.07 -41.18 0.95 0.00 99.05 0.08 0.05 0.70 98.85 0.32 0.00 0.00 0.00 73 N H H 66.07 8.95 16.25 26.26 91.50 51.75 -66.48 -34.22 3.14 0.01 96.86 0.19 0.17 2.66 95.33 1.65 0.00 0.00 0.00 74 A H H 76.75 2.39 18.76 20.99 91.22 56.07 -71.79 -22.35 14.85 0.03 85.12 0.43 0.66 14.38 82.56 1.90 0.03 0.01 0.02 75 R H H 128.74 5.70 16.29 22.76 98.17 46.64 -98.56 -1.77 38.91 0.23 60.86 2.29 2.90 33.02 59.29 2.17 0.07 0.09 0.16 76 E C C 62.25 14.76 10.62 25.36 115.15 106.36 -80.19 137.12 87.03 11.06 1.91 72.51 11.78 2.38 1.48 0.64 0.00 7.38 3.82 77 E C C 117.28 4.38 16.26 22.27 122.42 -166.14 -119.08 136.71 55.93 43.03 1.04 51.56 2.59 0.63 0.79 0.34 0.00 25.11 18.98 78 R C C 104.96 11.36 10.67 22.61 116.56 -147.97 -100.26 129.27 73.19 25.77 1.04 67.42 3.62 1.12 0.51 0.52 0.00 20.15 6.64 79 L C S 115.38 3.44 13.54 18.33 96.52 -159.05 -81.23 -26.19 93.75 5.61 0.63 29.27 59.55 5.27 0.13 0.50 0.00 4.38 0.90 80 R C S 153.85 1.97 15.38 17.67 125.70 29.50 -130.20 141.24 94.61 4.95 0.44 18.08 73.65 3.53 0.09 0.33 0.00 2.87 1.45 81 A C C 68.71 6.61 12.80 21.02 115.86 -107.87 -68.56 143.48 98.32 1.57 0.12 82.44 15.48 0.52 0.03 0.08 0.00 0.89 0.56 82 P C C 42.68 15.24 7.59 22.24 114.61 -107.48 -66.04 147.01 97.40 1.89 0.71 89.78 5.35 2.11 0.17 0.53 0.00 0.86 1.20 83 K C S 174.52 0.71 14.70 13.84 101.29 -150.05 -96.52 -0.66 97.02 2.30 0.68 28.88 61.95 6.30 0.12 0.55 0.00 1.10 1.10 84 G C S 45.35 1.73 15.50 16.97 135.49 14.33 102.82 -171.45 95.59 3.73 0.68 12.17 77.07 6.67 0.09 0.55 0.00 2.40 1.05 85 W C C 166.53 4.97 12.97 19.58 113.55 -42.60 -77.42 137.09 93.10 5.84 1.05 77.30 11.72 3.58 0.29 0.83 0.00 2.99 3.28 86 I C C 54.72 11.30 10.93 23.50 118.13 -158.26 -106.81 127.22 90.87 5.77 3.36 77.60 10.58 1.65 2.59 0.92 0.00 2.30 4.36 87 P C T 70.43 5.82 16.17 23.17 94.06 -120.17 -61.38 -30.31 49.81 1.64 48.55 15.45 7.63 26.44 22.83 25.88 0.06 0.91 0.80 88 S H G 37.22 11.11 13.63 25.75 92.00 58.49 -69.26 -23.09 34.66 0.99 64.35 8.89 4.62 19.63 29.92 35.93 0.05 0.58 0.39 89 Q H G 65.17 11.66 13.05 25.46 91.47 66.25 -68.36 -27.20 18.61 0.64 80.74 4.44 2.96 10.49 34.49 47.01 0.03 0.39 0.19 90 L H G 101.05 4.57 15.90 21.48 92.17 61.46 -71.42 -23.60 24.56 0.88 74.56 4.23 3.36 15.43 34.18 41.87 0.10 0.52 0.32 91 W H G 142.84 5.48 14.37 20.89 98.60 46.90 -95.95 -4.76 41.49 3.52 54.99 9.98 8.01 22.96 24.92 29.96 0.54 1.89 1.75 92 N C C 48.14 13.24 8.65 22.05 116.49 97.16 -86.15 139.92 58.36 9.16 32.48 32.18 13.39 13.29 12.67 19.06 0.15 4.11 5.14 93 D C T 122.15 1.60 14.72 16.69 95.80 -145.33 -75.57 -17.50 72.27 2.17 25.56 10.93 16.24 45.68 6.13 18.58 0.05 1.27 1.13 94 N C T 107.45 3.41 13.84 18.26 100.71 58.24 -94.57 6.74 76.06 3.20 20.75 17.42 15.65 43.61 4.16 15.90 0.02 1.82 1.41 95 V C C 52.44 12.83 8.04 21.09 113.62 106.44 -90.69 123.92 94.82 4.00 1.18 60.50 33.15 1.30 0.65 0.48 0.00 1.43 2.49 96 P C C 83.17 4.69 13.74 19.86 110.07 -131.63 -73.64 147.90 97.03 1.84 1.13 78.23 16.88 1.99 0.54 0.52 0.00 0.94 0.89 97 T C C 90.35 4.36 13.00 18.87 116.60 -105.89 -93.12 136.48 93.44 2.30 4.26 56.54 34.13 3.05 2.60 1.50 0.00 1.00 1.17 98 P C C 73.20 7.82 11.05 20.35 112.96 -108.47 -68.64 146.18 82.28 3.32 14.40 68.89 7.53 5.89 8.72 5.60 0.00 1.90 1.47 99 V C C 83.47 6.60 10.56 18.67 108.88 -129.40 -84.08 120.85 60.63 8.98 30.39 39.48 10.63 10.35 18.43 12.34 0.08 5.76 2.93 100 D C C 89.92 4.14 11.77 17.25 109.75 -138.26 -93.40 110.99 57.46 11.92 30.62 38.29 8.94 9.86 18.65 12.54 0.08 8.54 3.09 101 Y C C 128.42 7.57 9.17 17.91 99.50 -164.40 -83.25 -2.96 52.51 10.57 36.92 28.38 10.54 14.34 20.88 15.61 0.24 7.00 3.01 102 R C T 163.74 2.68 10.95 15.02 100.48 61.00 -75.09 16.83 64.49 4.24 31.27 14.64 12.13 37.47 17.75 13.32 0.26 2.64 1.79 103 G C T 55.67 2.30 11.90 15.26 99.87 -66.64 81.60 5.28 74.42 3.95 21.64 19.22 16.78 39.35 10.47 10.25 0.08 2.43 1.44 104 K C C 108.74 5.82 9.33 17.07 117.49 132.28 -90.80 139.95 73.20 14.01 12.79 52.22 12.95 7.54 7.79 5.42 0.02 10.20 3.87 105 V C C 96.54 3.84 11.65 17.31 118.68 -151.33 -103.63 137.26 64.52 24.02 11.46 49.60 8.22 5.08 8.01 4.26 0.05 17.20 7.58 106 L C C 85.44 8.37 8.11 17.60 111.26 -128.78 -84.26 133.62 66.84 18.22 14.94 43.19 11.96 12.19 7.47 7.26 0.06 14.29 3.57 107 K C C 146.15 2.46 9.95 13.96 110.39 -141.99 -88.49 109.91 75.92 11.05 13.03 43.22 15.51 18.33 4.90 7.30 0.02 8.45 2.27 108 D C C 108.15 2.95 8.02 12.81 108.13 -154.19 -88.06 96.54 86.10 5.34 8.56 72.04 4.01 10.79 3.20 4.38 0.00 3.93 1.67 109 E C C 143.84 2.21 10.94 14.50 103.55 76.41 -84.81 50.37 99.69 0.20 0.12 99.22 0.29 0.26 0.05 0.02 0.00 0.12 0.03