# 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 112.04 6.40 11.72 19.49 115.25 -161.59 -95.08 131.40 99.83 0.16 0.02 99.74 0.12 0.04 0.01 0.00 0.00 0.08 0.02 1 S C C 78.99 3.89 10.64 16.30 115.02 -150.53 -94.47 134.79 92.55 6.79 0.66 90.58 1.36 1.09 0.34 0.19 0.00 3.19 3.24 2 T C C 88.63 4.46 10.42 16.78 117.02 -142.02 -100.47 132.29 93.36 5.67 0.97 71.35 20.89 1.48 0.57 0.39 0.00 3.22 2.10 3 P C C 72.01 8.32 9.57 19.18 112.50 -110.29 -67.73 146.66 90.29 3.69 6.02 75.19 9.34 5.64 4.04 2.05 0.00 2.29 1.45 4 H C C 125.45 3.84 11.99 17.28 112.55 -131.85 -88.94 137.33 79.55 4.17 16.28 62.42 9.48 6.66 13.60 3.57 0.00 2.03 2.23 5 A C H 74.41 4.06 11.50 16.91 99.90 -116.12 -70.61 -27.38 49.18 1.99 48.83 26.69 12.19 12.21 38.84 8.19 0.05 1.02 0.82 6 D H H 93.96 3.72 12.70 17.65 99.67 56.51 -79.49 -14.15 44.54 1.61 53.85 27.43 7.56 10.88 44.37 8.22 0.03 0.91 0.61 7 A H H 52.49 7.05 11.25 19.70 98.62 68.28 -72.55 -27.53 35.11 1.79 63.10 21.91 6.74 8.36 52.59 8.70 0.03 1.05 0.61 8 Q H H 105.03 4.75 13.55 19.47 98.75 61.38 -75.69 -26.52 33.36 2.41 64.23 21.66 6.02 7.93 55.10 7.01 0.04 1.47 0.77 9 L H H 94.58 4.77 12.86 18.90 100.52 62.14 -78.00 -20.43 34.19 2.56 63.25 21.38 6.60 8.50 54.90 6.23 0.05 1.53 0.82 10 N H H 89.76 4.43 13.89 19.38 101.07 60.99 -78.65 -10.55 41.95 2.16 55.89 25.68 7.28 10.67 49.53 4.83 0.03 1.22 0.76 11 A H H 61.00 5.56 12.30 19.19 96.21 64.23 -69.46 -31.31 44.76 1.92 53.32 26.25 9.06 11.56 46.05 5.29 0.04 0.97 0.78 12 A C H 66.38 4.41 12.83 18.48 96.73 58.04 -72.12 -31.01 49.32 1.63 49.06 28.91 9.85 12.31 41.10 6.27 0.03 0.81 0.71 13 D C C 96.92 3.57 12.83 17.61 99.66 56.33 -79.99 -10.12 57.80 1.73 40.47 35.75 9.32 13.44 32.17 7.65 0.02 0.88 0.78 14 D C C 91.74 5.06 11.05 17.55 101.63 74.10 -81.15 6.25 61.97 2.22 35.81 37.35 9.39 15.58 26.59 8.86 0.02 1.13 1.08 15 L C C 111.83 4.00 10.90 16.46 99.59 86.95 -83.09 -0.31 69.92 2.65 27.43 28.92 15.62 26.19 18.97 7.66 0.06 1.27 1.31 16 G C C 53.02 3.19 13.15 17.42 103.50 -61.30 67.73 10.05 83.22 3.11 13.67 40.51 21.25 22.12 7.62 5.49 0.01 1.54 1.47 17 I C C 94.20 7.02 9.52 17.92 112.12 124.58 -88.94 123.76 82.83 5.66 11.51 57.59 16.33 8.46 7.64 4.14 0.00 2.90 2.92 18 D C C 92.56 3.70 12.38 17.41 112.13 -134.32 -92.32 121.69 85.63 3.81 10.56 64.51 12.02 8.56 6.93 3.89 0.00 1.97 2.11 19 S C T 74.09 5.39 10.38 17.48 97.01 -146.15 -69.75 -21.66 72.73 2.04 25.23 29.96 13.15 30.62 12.88 11.22 0.02 0.98 1.17 20 S C T 83.78 2.16 12.64 15.63 97.76 64.33 -78.22 -14.13 71.45 1.40 27.15 23.29 15.33 33.85 14.05 11.90 0.03 0.62 0.93 21 A C C 63.57 5.73 11.38 18.57 101.19 71.85 -82.56 -8.22 67.49 1.73 30.78 34.78 16.77 16.48 16.39 13.67 0.02 0.71 1.18 22 A C C 55.19 7.90 10.88 19.96 105.44 82.39 -83.32 25.82 59.59 1.99 38.42 33.52 13.11 13.20 21.49 16.62 0.02 0.93 1.10 23 S C C 69.79 4.56 13.43 19.24 105.74 56.86 -79.99 49.38 58.64 2.72 38.63 34.52 10.10 14.09 18.04 20.57 0.02 1.48 1.19 24 A C C 67.78 6.19 12.44 19.90 102.67 56.59 -81.67 2.41 56.58 4.43 38.99 32.21 10.92 13.90 16.52 22.23 0.03 2.50 1.68 25 Y C C 119.11 8.42 11.54 20.95 109.07 81.60 -95.89 77.25 63.49 7.98 28.52 32.83 14.88 16.81 12.40 15.36 0.12 4.28 3.30 26 D C C 101.44 4.28 14.48 20.10 106.80 56.92 -92.14 94.96 81.64 5.56 12.80 45.77 23.24 13.13 5.25 7.13 0.02 2.87 2.59 27 T C C 60.94 9.58 11.31 22.06 117.54 111.02 -99.96 133.66 95.30 3.35 1.35 63.80 30.02 1.75 0.71 0.60 0.00 1.55 1.56 28 P C C 79.49 6.42 12.89 20.80 106.99 -111.85 -66.71 139.10 88.45 3.46 8.09 58.17 11.66 18.29 1.75 6.66 0.00 2.02 1.45 29 L C T 111.53 5.46 12.54 19.46 107.83 -110.88 -82.38 95.57 85.58 4.69 9.73 25.65 18.65 41.85 1.92 7.43 0.01 2.59 1.90 30 G C T 45.62 5.45 14.28 20.86 107.64 -6.52 88.84 -4.56 85.88 5.61 8.51 30.61 21.30 34.86 1.44 6.75 0.01 3.32 1.70 31 I C C 81.94 10.69 11.35 22.62 113.34 119.11 -93.67 123.50 81.28 12.46 6.26 50.81 17.99 12.19 1.81 4.59 0.01 6.68 5.93 32 T C C 84.94 5.79 15.21 22.18 106.59 162.12 -96.09 21.49 84.84 11.04 4.12 41.87 32.01 11.87 1.26 2.78 0.01 6.18 4.02 33 N C S 87.26 8.27 15.05 24.34 114.81 37.84 -111.50 108.84 95.28 4.32 0.40 35.41 59.18 1.36 0.16 0.20 0.00 2.41 1.30 34 P C C 47.23 10.65 14.18 26.14 115.98 -125.42 -69.12 153.19 98.14 1.30 0.56 84.20 13.05 1.00 0.37 0.16 0.00 0.71 0.50 35 P C C 60.91 5.95 18.97 25.82 110.57 -100.68 -65.82 144.02 93.81 3.58 2.61 90.54 2.04 1.19 2.22 0.37 0.00 1.17 2.48 36 I H H 48.43 17.39 12.15 29.02 93.59 -127.40 -61.54 -38.33 8.53 0.19 91.29 4.15 2.04 3.57 85.64 4.41 0.02 0.09 0.09 37 D H H 95.22 3.53 17.42 21.90 91.92 54.85 -63.77 -39.05 3.87 0.07 96.07 0.91 0.51 2.40 90.30 5.80 0.01 0.04 0.01 38 E H H 103.73 2.64 18.37 20.72 92.33 49.76 -66.53 -38.92 2.50 0.06 97.44 0.55 0.28 1.59 90.81 6.71 0.01 0.04 0.01 39 L H H 21.01 16.19 12.52 29.28 92.76 51.56 -65.86 -40.58 2.96 0.07 96.98 0.65 0.40 1.88 91.80 5.20 0.01 0.05 0.01 40 L H H 55.32 12.89 12.79 26.21 91.77 53.80 -66.26 -33.12 8.01 0.14 91.85 1.32 0.86 5.75 83.64 8.24 0.05 0.09 0.05 41 S H H 91.10 1.05 17.77 17.50 92.10 55.48 -71.93 -23.31 22.20 0.12 77.68 1.38 1.64 19.22 71.49 6.04 0.08 0.06 0.08 42 R H H 145.88 3.56 15.71 20.17 98.57 43.66 -92.73 -17.29 30.61 0.21 69.18 2.05 3.80 24.93 64.72 4.14 0.13 0.08 0.16 43 A C C 24.26 15.84 8.10 23.37 128.57 54.39 -122.24 150.47 76.66 1.64 21.70 49.37 16.99 8.64 21.56 1.53 0.01 0.46 1.44 44 S C S 95.49 1.09 17.51 17.64 95.43 -142.91 -77.60 -23.06 98.56 0.42 1.02 22.44 69.31 6.89 0.71 0.27 0.00 0.17 0.21 45 S C S 43.92 5.66 19.72 26.13 137.77 10.93 -149.55 160.67 96.08 1.67 2.25 26.90 67.23 1.78 1.98 0.33 0.00 0.39 1.39 46 K H H 79.07 16.10 16.20 31.60 92.06 -108.81 -61.77 -36.75 2.58 0.01 97.41 0.40 0.49 1.55 97.01 0.54 0.00 0.00 0.00 47 Y H H 105.17 10.23 21.34 31.56 91.49 55.25 -62.96 -40.98 1.59 0.01 98.40 0.21 0.14 1.14 97.94 0.57 0.00 0.00 0.00 48 A H H 28.68 8.85 22.56 32.57 91.43 50.53 -64.54 -41.08 0.35 0.00 99.65 0.07 0.03 0.20 99.32 0.38 0.00 0.00 0.00 49 L H H 11.25 20.46 20.18 40.53 91.22 51.71 -63.22 -43.22 0.08 0.00 99.92 0.02 0.01 0.04 99.89 0.04 0.00 0.00 0.00 50 V H H 20.28 18.62 22.99 41.07 91.57 50.04 -63.87 -42.75 0.05 0.00 99.95 0.01 0.00 0.02 99.96 0.01 0.00 0.00 0.00 51 I H H 64.01 8.42 26.84 35.73 91.57 49.57 -63.82 -42.73 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.01 0.00 0.00 0.00 52 Y H H 46.73 13.08 25.76 39.23 91.78 49.21 -63.99 -42.96 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 53 A H H 5.42 21.97 22.48 44.35 91.45 50.42 -63.98 -42.64 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.00 0.00 0.00 0.00 54 A H H 22.42 14.08 23.89 38.13 91.52 51.57 -63.31 -42.24 0.11 0.00 99.89 0.00 0.00 0.07 99.91 0.01 0.00 0.00 0.00 55 K H H 94.60 5.51 27.67 33.74 91.66 49.91 -63.83 -42.21 0.17 0.00 99.83 0.01 0.01 0.12 99.86 0.01 0.00 0.00 0.00 56 R H H 46.53 15.09 23.87 38.60 91.99 49.43 -65.05 -41.46 0.17 0.00 99.83 0.02 0.01 0.11 99.86 0.01 0.00 0.00 0.00 57 A H H 10.04 19.58 19.57 39.25 91.49 52.06 -62.69 -42.36 0.14 0.00 99.86 0.01 0.01 0.08 99.88 0.02 0.00 0.00 0.00 58 R H H 119.60 5.10 25.16 30.49 91.50 50.75 -63.35 -41.58 0.23 0.00 99.77 0.02 0.01 0.15 99.78 0.04 0.00 0.00 0.00 59 Q H H 80.36 5.53 23.95 29.73 91.52 49.91 -64.14 -41.94 0.44 0.00 99.55 0.04 0.02 0.31 99.57 0.06 0.00 0.00 0.00 60 I H H 18.97 17.83 18.29 36.53 91.86 49.44 -64.17 -42.49 0.70 0.00 99.30 0.11 0.05 0.44 99.28 0.12 0.00 0.00 0.00 61 N H H 50.66 11.34 19.42 31.27 91.41 51.53 -63.51 -41.24 1.53 0.00 98.47 0.27 0.11 1.00 98.32 0.30 0.00 0.00 0.00 62 D H H 79.77 2.33 22.10 23.04 91.85 49.72 -64.89 -40.51 3.64 0.02 96.34 0.49 0.29 2.65 95.83 0.72 0.01 0.01 0.00 63 Y H H 74.97 8.07 17.79 27.22 92.46 49.53 -65.86 -40.88 5.16 0.05 94.79 0.98 0.59 3.52 93.60 1.24 0.02 0.03 0.02 64 Y H H 52.35 14.55 13.25 28.14 92.43 51.63 -65.09 -39.88 7.42 0.15 92.43 2.26 1.13 4.40 89.86 2.18 0.03 0.08 0.05 65 N H H 105.83 2.83 16.14 19.76 92.54 51.87 -66.44 -35.14 13.41 0.19 86.41 2.71 1.59 9.37 82.79 3.29 0.06 0.11 0.08 66 Q H H 128.06 1.67 15.57 17.01 94.44 51.26 -73.46 -29.74 21.50 0.26 78.24 3.34 2.85 15.84 74.37 3.25 0.10 0.12 0.13 67 L H H 77.11 7.99 11.35 20.57 98.54 50.67 -84.27 -15.10 43.81 1.06 55.13 11.79 11.14 23.27 49.52 3.07 0.17 0.39 0.64 68 G C C 41.62 4.30 13.69 19.34 114.26 -123.15 80.37 -157.20 77.62 1.05 21.32 39.24 9.33 29.08 13.64 7.54 0.00 0.54 0.63 69 D C T 111.72 2.87 13.25 17.28 100.67 -33.22 -76.93 15.27 67.44 1.05 31.51 15.49 14.19 37.87 17.76 13.42 0.05 0.48 0.75 70 G C T 38.47 5.59 13.97 20.79 103.12 42.60 34.99 -14.03 63.39 1.30 35.31 21.03 12.72 30.57 20.58 13.64 0.04 0.60 0.81 71 I H H 68.67 9.58 12.37 23.03 97.23 84.49 -71.20 -32.47 35.42 2.76 61.82 18.68 7.09 10.42 40.85 20.35 0.08 1.66 0.88 72 L H H 78.76 9.43 12.83 23.04 96.08 62.04 -71.62 -27.81 28.34 5.16 66.50 12.93 5.51 10.04 42.10 24.43 0.17 3.77 1.04 73 E H H 123.84 3.67 14.94 19.65 97.99 61.28 -75.40 -22.64 29.67 6.67 63.66 13.03 5.63 11.02 40.17 23.62 0.21 5.12 1.19 74 Y H H 133.65 5.88 13.68 20.64 100.76 52.76 -86.98 -13.43 38.34 8.47 53.18 16.63 8.47 14.56 35.55 16.28 0.41 5.97 2.13 75 V C C 72.68 9.54 12.46 22.70 105.62 56.66 -94.99 6.02 56.46 9.61 33.92 26.60 17.29 14.83 26.44 5.77 0.41 5.25 3.44 76 G C C 32.33 7.31 14.79 23.17 124.87 -127.77 98.49 -155.61 82.38 5.56 12.06 40.99 25.82 16.48 5.11 6.51 0.02 3.29 1.79 77 P C C 83.65 5.81 15.30 22.20 105.31 -25.35 -70.69 109.10 79.58 3.90 16.52 38.71 18.11 23.64 5.40 10.48 0.01 2.25 1.39 78 L C C 89.26 8.94 14.83 24.31 101.24 83.30 -82.30 -11.33 71.68 12.39 15.92 37.66 17.44 17.55 5.97 9.66 0.07 7.21 4.44 79 V C C 51.02 14.07 11.23 25.27 116.30 73.16 -103.77 125.75 76.41 13.12 10.47 47.51 21.44 7.16 5.42 5.30 0.03 6.88 6.27 80 E C C 114.44 4.84 15.31 21.52 116.18 -140.20 -92.82 135.48 92.96 3.54 3.50 71.31 18.75 2.82 2.08 1.52 0.00 1.99 1.53 81 P C T 88.25 6.25 12.90 20.55 106.20 -108.16 -65.94 134.09 78.94 1.24 19.82 27.11 12.17 40.12 7.03 12.25 0.00 0.67 0.64 82 G C T 44.87 5.25 15.22 21.41 101.37 30.69 74.47 -9.09 75.70 1.10 23.20 25.12 12.16 38.69 7.70 15.11 0.00 0.56 0.65 83 L C C 70.37 11.83 11.81 23.91 97.85 87.89 -76.04 -18.46 63.98 1.59 34.43 29.80 13.41 21.02 9.01 25.11 0.01 0.74 0.91 84 Q C C 101.05 8.34 14.32 23.40 100.11 67.27 -83.02 -3.51 68.29 1.94 29.77 32.58 13.21 23.02 8.25 20.94 0.01 0.92 1.06 85 E C C 114.78 5.83 16.27 23.05 101.96 87.52 -84.90 -11.09 77.56 1.90 20.54 39.73 24.11 13.99 7.15 12.90 0.01 0.78 1.33 86 K C C 91.28 8.69 19.20 28.31 117.31 41.49 -94.94 130.83 97.12 0.83 2.05 66.14 30.02 0.78 1.89 0.30 0.00 0.22 0.65 87 P H H 31.97 18.19 18.34 36.29 92.62 -131.44 -59.55 -37.65 4.68 0.02 95.30 1.08 0.68 2.74 94.78 0.70 0.00 0.01 0.01 88 L H H 27.13 20.05 20.66 39.87 91.86 53.56 -64.33 -39.79 2.40 0.01 97.59 0.37 0.20 1.61 97.15 0.65 0.00 0.00 0.00 89 S H H 32.35 9.29 23.86 33.87 91.59 50.59 -64.56 -41.36 1.18 0.02 98.81 0.37 0.11 0.63 98.20 0.67 0.00 0.01 0.00 90 I H H 28.39 12.26 23.68 36.88 91.60 50.29 -63.90 -42.76 0.14 0.00 99.86 0.03 0.01 0.07 99.80 0.09 0.00 0.00 0.00 91 A H H 4.35 22.49 20.59 43.30 91.49 50.95 -63.18 -43.86 0.07 0.00 99.92 0.01 0.00 0.04 99.90 0.04 0.00 0.00 0.00 92 L H H 35.38 15.86 22.91 38.31 91.58 50.37 -63.42 -42.28 0.06 0.01 99.93 0.01 0.00 0.04 99.91 0.04 0.00 0.00 0.00 93 R H H 106.09 6.04 24.98 31.31 91.70 49.90 -64.22 -41.59 0.07 0.02 99.91 0.01 0.00 0.04 99.89 0.04 0.00 0.01 0.00 94 E H H 30.53 13.55 19.46 33.92 91.81 49.51 -64.69 -42.21 0.19 0.03 99.78 0.02 0.01 0.13 99.74 0.07 0.00 0.02 0.00 95 I H H 22.83 18.29 16.22 34.61 91.97 48.75 -64.50 -43.15 0.65 0.03 99.32 0.06 0.03 0.52 99.21 0.16 0.00 0.02 0.00 96 H H H 110.02 7.09 18.06 26.03 90.94 50.64 -65.68 -32.35 4.95 0.02 95.02 0.15 0.16 4.77 94.65 0.25 0.01 0.01 0.01 97 G C T 41.19 4.38 16.39 21.86 92.53 55.43 -84.31 -3.18 89.04 0.03 10.93 0.29 1.32 86.26 11.72 0.36 0.00 0.01 0.03 98 D C T 108.21 4.51 16.72 22.77 93.04 -117.33 62.12 32.06 99.04 0.03 0.94 0.74 2.10 96.47 0.55 0.12 0.00 0.01 0.01 99 L C S 53.53 11.48 15.84 28.52 94.81 132.95 -84.10 -18.13 97.78 1.70 0.52 36.85 57.04 4.19 0.15 0.34 0.00 1.11 0.34 100 L E E 17.74 22.50 11.92 33.84 127.24 45.24 -124.16 140.44 46.57 52.76 0.67 29.13 18.38 2.47 0.22 0.52 0.01 46.13 3.14 101 E E E 106.12 4.74 23.06 28.61 124.33 -168.49 -122.06 140.10 26.60 73.08 0.32 24.30 2.08 0.40 0.12 0.18 0.00 71.45 1.47 102 H E E 72.43 17.85 13.11 29.96 120.31 -145.96 -107.51 132.47 29.12 70.51 0.37 26.77 1.80 0.41 0.14 0.20 0.00 69.44 1.25 103 T E E 67.84 6.48 15.82 23.71 125.22 -173.50 -122.77 143.03 44.32 54.96 0.72 38.85 3.86 1.18 0.25 0.47 0.00 53.81 1.58 104 E C C 132.14 4.78 11.39 18.40 115.45 -137.78 -96.25 133.82 61.22 37.53 1.25 44.96 9.92 6.15 0.30 0.99 0.00 36.18 1.51 105 G C C 47.85 3.49 11.51 16.69 124.48 80.14 129.21 -177.03 86.87 12.43 0.70 75.86 3.87 5.91 0.14 0.48 0.00 12.90 0.83 106 E C C 151.77 1.79 13.12 15.76 110.80 -73.00 -86.77 126.05 99.57 0.41 0.02 99.40 0.20 0.07 0.01 0.00 0.00 0.30 0.03