# 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 K C C 126.54 5.43 14.53 21.40 113.11 -137.43 -85.05 135.73 99.94 0.04 0.01 99.88 0.06 0.03 0.00 0.00 0.00 0.02 0.00 1 A C C 72.49 5.53 12.70 19.88 114.90 -133.49 -89.59 133.69 92.70 5.32 1.98 90.13 1.22 2.04 0.81 0.76 0.00 2.84 2.21 2 Y C C 98.29 12.08 9.86 22.21 114.30 -143.31 -94.48 126.57 85.59 10.33 4.07 69.64 9.49 5.88 1.28 2.95 0.00 6.77 3.97 3 R C C 151.47 4.68 14.22 20.39 109.98 -146.38 -88.55 116.81 84.17 9.30 6.53 50.38 13.00 20.74 1.18 5.76 0.00 6.50 2.44 4 G C T 49.00 4.63 15.47 21.28 107.01 -5.69 83.49 4.05 85.02 6.22 8.76 22.57 23.94 39.22 0.88 7.91 0.01 4.11 1.36 5 G C C 31.29 10.95 15.38 26.60 116.74 56.92 93.05 174.07 85.06 8.74 6.21 36.86 25.05 23.54 0.58 6.20 0.00 6.64 1.13 6 H C C 82.57 11.35 19.30 30.60 120.44 -124.62 -97.73 140.05 69.49 28.35 2.16 49.30 14.74 4.92 0.31 2.03 0.00 27.47 1.23 7 L E E 26.63 19.55 18.09 37.20 120.60 -131.00 -105.44 135.14 24.40 75.49 0.11 21.89 1.86 0.17 0.03 0.07 0.00 75.40 0.58 8 T E E 26.57 14.31 24.15 38.73 124.43 -165.22 -118.32 136.85 5.03 94.96 0.01 4.63 0.24 0.02 0.00 0.01 0.00 94.99 0.11 9 I E E 9.70 23.91 20.31 44.35 120.38 -157.47 -111.73 129.08 1.43 98.57 0.00 1.32 0.04 0.00 0.00 0.00 0.00 98.61 0.02 10 R E E 60.04 13.55 26.45 39.88 123.61 -171.25 -118.24 135.62 1.02 98.98 0.00 0.91 0.03 0.00 0.00 0.00 0.00 99.04 0.01 11 L E E 13.75 23.08 20.30 43.14 122.78 -159.35 -108.22 137.02 0.88 99.12 0.00 0.80 0.02 0.00 0.00 0.00 0.00 99.18 0.01 12 A E E 19.73 14.25 23.90 38.51 131.32 -173.78 -131.30 151.73 0.52 99.48 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.51 0.01 13 L E E 56.23 16.23 19.82 35.31 116.53 -124.33 -87.60 134.36 0.91 99.09 0.00 0.83 0.03 0.00 0.00 0.00 0.00 99.12 0.02 14 G E E 19.23 12.34 19.23 32.06 136.83 169.38 -144.05 170.42 4.47 95.52 0.01 3.84 0.31 0.03 0.00 0.00 0.00 95.70 0.12 15 G E E 31.64 6.61 17.49 25.58 133.15 50.46 126.81 -170.76 22.38 77.58 0.04 16.94 4.92 0.34 0.01 0.04 0.00 77.31 0.44 16 C C C 62.68 7.01 14.43 22.90 126.51 -61.50 -118.35 156.40 54.84 45.04 0.12 48.79 5.03 0.41 0.03 0.10 0.00 42.11 3.52 17 T C T 98.67 4.55 12.85 18.49 99.74 -92.10 -65.25 2.34 99.12 0.51 0.37 1.48 48.41 49.34 0.01 0.33 0.00 0.34 0.09 18 N C S 131.51 1.81 15.14 16.66 96.83 14.00 -82.29 -0.71 99.40 0.26 0.34 1.24 50.01 48.24 0.01 0.30 0.00 0.17 0.04 19 R C S 108.53 6.83 15.08 23.33 120.25 42.03 -130.23 113.41 59.99 39.89 0.12 19.18 40.61 1.17 0.01 0.12 0.00 37.37 1.54 20 P E E 38.65 14.01 15.37 30.12 115.10 -134.45 -70.22 142.92 41.45 58.54 0.01 39.03 0.90 0.05 0.00 0.01 0.00 59.74 0.27 21 F E E 37.40 14.28 20.12 35.18 130.99 -172.82 -128.45 148.54 1.52 98.48 0.00 1.36 0.07 0.00 0.00 0.00 0.00 98.51 0.06 22 Y E E 30.64 19.70 20.13 39.29 126.50 -154.13 -118.95 141.54 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 23 R E E 48.37 16.11 25.68 41.07 130.79 -170.51 -130.27 143.10 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 24 I E E 6.03 24.10 22.77 46.82 118.51 -149.69 -106.64 128.25 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 25 V E E 9.71 19.82 26.36 45.72 126.76 -171.67 -121.28 143.04 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 26 A E E 5.58 22.34 24.26 46.32 119.27 -153.10 -107.33 133.24 0.34 99.66 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.68 0.01 27 A E E 8.43 18.00 20.70 39.23 132.89 -176.44 -131.13 152.21 4.98 95.02 0.00 4.76 0.10 0.00 0.00 0.00 0.00 94.94 0.18 28 H E E 62.21 11.32 19.79 31.66 112.46 -104.57 -72.65 146.18 29.81 69.91 0.28 21.87 7.97 1.07 0.06 0.24 0.00 67.63 1.16 29 N C T 86.08 8.95 17.09 26.45 97.98 -93.77 -66.49 -23.35 93.86 4.95 1.19 4.66 43.92 45.70 0.07 1.12 0.00 4.05 0.48 30 K C T 149.60 2.80 17.18 20.29 97.15 52.91 -84.52 -3.51 96.09 2.53 1.38 9.54 39.94 46.70 0.09 1.46 0.00 1.83 0.45 31 C C S 41.33 11.25 10.52 23.04 118.94 88.41 -97.00 138.10 95.98 3.72 0.30 38.71 56.82 0.80 0.08 0.18 0.00 1.36 2.05 32 P C C 69.09 5.18 15.67 22.00 113.05 -105.12 -66.56 154.41 95.73 1.44 2.82 84.87 4.44 5.91 0.48 2.76 0.00 0.75 0.80 33 R C T 129.86 10.40 11.50 22.35 94.39 -105.81 -62.74 -26.34 94.58 0.43 4.99 4.20 10.98 78.12 0.31 5.89 0.00 0.25 0.25 34 D C T 114.25 2.09 16.29 18.45 96.27 54.51 -87.03 4.02 92.60 0.41 6.99 4.09 11.52 75.68 0.45 7.80 0.00 0.22 0.24 35 G C C 29.82 10.41 12.30 23.34 120.88 113.15 -81.17 168.13 96.06 1.44 2.50 46.76 45.74 3.39 0.27 2.39 0.00 0.67 0.78 36 R C C 147.56 3.75 19.06 23.34 115.59 -89.33 -82.07 141.36 96.08 3.53 0.38 83.94 11.17 1.06 0.09 0.35 0.00 2.37 1.03 37 F C C 78.12 16.54 12.98 28.85 112.78 -112.39 -74.39 132.60 58.39 41.43 0.17 57.10 1.61 0.22 0.06 0.12 0.00 37.07 3.83 38 V C E 59.98 11.13 18.50 30.20 100.76 -170.47 -93.22 -33.96 50.76 49.15 0.08 26.26 24.80 0.35 0.01 0.07 0.00 48.21 0.30 39 E E E 60.50 10.59 21.40 32.58 138.20 -3.60 -151.36 148.54 4.20 95.68 0.12 3.72 0.48 0.06 0.03 0.08 0.00 95.39 0.22 40 Q E E 80.26 14.74 19.92 33.71 112.86 -124.96 -87.08 123.40 1.34 98.65 0.01 1.52 0.03 0.00 0.00 0.01 0.00 98.29 0.14 41 L E E 19.22 20.01 19.32 39.20 99.33 178.04 -95.11 -22.71 3.08 96.91 0.01 2.18 0.85 0.09 0.00 0.01 0.00 96.82 0.06 42 G E E 7.57 13.71 22.91 37.55 145.02 -47.49 162.11 176.91 2.20 97.80 0.01 1.36 0.68 0.10 0.00 0.01 0.00 97.83 0.03 43 S E E 29.36 16.27 21.54 37.39 136.25 -108.21 -144.40 155.74 2.11 97.89 0.00 1.93 0.13 0.01 0.00 0.00 0.00 97.82 0.10 44 Y E E 45.42 17.04 19.21 36.25 125.20 -145.92 -120.96 138.84 5.78 94.21 0.01 5.15 0.46 0.02 0.01 0.01 0.00 92.55 1.81 45 D C C 43.41 12.16 19.01 32.04 111.98 -160.58 -114.41 109.48 72.47 27.51 0.02 68.95 2.17 0.08 0.00 0.02 0.00 28.28 0.51 46 P C S 58.48 11.06 16.50 28.68 94.37 -164.15 -72.51 -20.25 92.72 7.16 0.12 23.43 65.06 3.78 0.01 0.14 0.00 7.14 0.43 47 L C S 83.88 5.62 16.35 23.25 121.67 53.81 -115.66 137.85 92.58 7.16 0.26 15.57 74.62 2.81 0.05 0.20 0.00 5.53 1.23 48 P C C 77.74 6.03 13.21 20.82 114.85 -110.20 -67.90 147.82 89.90 9.45 0.65 82.37 5.99 1.09 0.22 0.40 0.00 4.42 5.50 49 N C C 53.81 10.46 8.38 19.66 122.00 -131.57 -86.59 168.51 95.59 3.64 0.78 92.51 2.10 0.96 0.20 0.43 0.00 1.36 2.43 50 S C T 99.56 0.96 11.15 12.24 93.79 -94.24 -66.97 -18.92 93.35 1.34 5.32 4.55 14.88 73.24 0.43 5.45 0.00 0.84 0.60 51 H C T 147.05 1.46 9.84 12.09 96.50 50.78 -89.97 7.70 94.67 0.32 5.01 1.93 11.71 80.67 0.32 5.02 0.00 0.17 0.19 52 G C S 58.54 1.65 11.40 13.86 95.76 -102.86 79.98 8.65 95.36 1.02 3.63 18.05 66.57 10.73 0.42 3.10 0.00 0.47 0.66 53 E C C 90.47 5.97 10.42 18.43 117.98 135.50 -87.55 143.36 95.99 3.11 0.91 75.85 17.09 2.98 0.25 0.68 0.00 1.65 1.50 54 K C C 115.91 6.48 14.99 22.89 110.98 -111.87 -76.38 128.54 70.96 28.18 0.87 62.51 6.01 1.36 0.33 0.62 0.00 20.93 8.24 55 L C C 58.22 12.75 16.62 29.74 101.83 -143.90 -94.43 -26.50 57.79 42.03 0.18 46.10 11.09 0.53 0.06 0.14 0.00 40.21 1.87 56 V E E 21.27 18.46 16.34 34.86 130.20 8.04 -133.29 141.63 13.04 86.91 0.06 11.72 1.19 0.10 0.03 0.03 0.00 85.54 1.39 57 A E E 42.25 10.91 23.39 34.47 129.30 -167.21 -124.43 143.07 7.25 92.72 0.03 6.99 0.35 0.03 0.01 0.01 0.00 91.44 1.17 58 L E E 19.49 22.51 14.96 37.26 117.07 -134.46 -95.43 133.25 20.94 79.01 0.05 20.84 0.53 0.03 0.03 0.02 0.00 75.89 2.66 59 N C C 58.58 8.26 21.30 30.70 105.22 -131.33 -85.78 98.06 85.49 14.44 0.08 85.60 0.72 0.06 0.03 0.02 0.00 13.16 0.40 60 L H H 54.05 16.23 14.42 30.67 93.69 -168.62 -64.28 -34.99 2.70 0.01 97.29 0.97 0.34 1.15 97.09 0.44 0.00 0.00 0.00 61 D H H 100.41 1.77 21.39 22.08 91.43 57.26 -63.36 -40.14 0.57 0.00 99.43 0.05 0.04 0.40 99.15 0.35 0.00 0.00 0.00 62 R H H 83.03 9.90 19.08 29.56 91.98 49.25 -65.90 -40.41 0.17 0.00 99.83 0.02 0.01 0.11 99.56 0.30 0.00 0.00 0.00 63 I H H 4.72 25.13 13.98 39.30 91.30 51.12 -63.86 -42.78 0.05 0.00 99.95 0.01 0.00 0.03 99.88 0.08 0.00 0.00 0.00 64 R H H 113.90 8.69 20.64 29.68 91.27 52.30 -62.23 -41.53 0.06 0.00 99.94 0.00 0.00 0.04 99.92 0.03 0.00 0.00 0.00 65 H H H 103.32 2.86 22.58 24.57 91.92 50.15 -63.99 -42.27 0.07 0.00 99.93 0.00 0.00 0.06 99.90 0.04 0.00 0.00 0.00 66 W H H 33.11 16.80 17.48 34.54 92.18 48.94 -64.91 -42.57 0.19 0.00 99.81 0.01 0.01 0.16 99.71 0.12 0.00 0.00 0.00 67 I H H 31.90 18.89 15.43 33.75 91.84 49.37 -64.79 -39.64 0.71 0.00 99.29 0.02 0.02 0.63 98.87 0.45 0.00 0.00 0.00 68 G H H 50.91 3.64 18.95 23.48 90.55 57.11 -68.01 -23.71 9.23 0.01 90.76 0.13 0.21 9.46 89.53 0.65 0.01 0.00 0.00 69 C C T 79.18 4.91 17.13 22.96 94.57 55.01 -89.49 0.61 83.82 0.02 16.16 0.19 1.01 82.41 15.71 0.65 0.00 0.00 0.02 70 G C T 44.56 4.75 20.06 25.21 100.95 -93.90 96.37 6.64 96.99 0.03 2.98 1.20 1.40 93.82 3.40 0.16 0.00 0.01 0.01 71 A C C 14.55 21.45 10.72 31.54 117.04 152.52 -73.29 144.12 98.58 1.20 0.21 96.67 1.71 0.36 0.09 0.07 0.00 0.76 0.33 72 H C C 126.20 3.77 24.64 28.95 117.35 -139.67 -102.78 131.40 73.16 26.68 0.16 71.50 2.01 0.35 0.08 0.08 0.00 22.64 3.34 73 L C C 40.21 21.92 13.09 33.72 117.82 -131.59 -81.79 141.25 66.84 33.06 0.10 66.90 1.08 0.07 0.06 0.03 0.00 24.12 7.74 74 S C C 29.51 11.22 16.68 29.16 119.45 -117.66 -74.36 159.19 96.69 3.19 0.12 96.50 0.60 0.05 0.08 0.02 0.00 2.28 0.48 75 K H H 144.04 2.74 18.84 22.44 91.70 -102.39 -59.96 -37.69 2.46 0.00 97.53 0.29 0.40 1.46 97.61 0.24 0.00 0.00 0.00 76 P H H 52.76 7.73 19.08 27.92 91.58 53.17 -63.69 -39.93 1.59 0.00 98.41 0.13 0.11 1.19 98.27 0.30 0.00 0.00 0.00 77 M H H 13.11 22.26 15.96 37.91 92.03 48.90 -65.50 -41.62 0.39 0.00 99.61 0.04 0.02 0.25 99.47 0.21 0.00 0.00 0.00 78 E H H 61.33 14.08 18.48 32.34 91.43 52.34 -62.70 -41.82 0.06 0.00 99.94 0.01 0.00 0.03 99.92 0.04 0.00 0.00 0.00 79 K H H 127.06 2.51 23.73 25.51 91.57 49.95 -64.15 -41.49 0.15 0.00 99.85 0.01 0.00 0.11 99.83 0.05 0.00 0.00 0.00 80 L H H 33.65 13.41 19.88 33.80 91.84 49.54 -64.93 -42.80 0.23 0.00 99.77 0.01 0.01 0.19 99.73 0.07 0.00 0.00 0.00 81 L H H 12.57 20.16 16.62 36.74 91.99 49.13 -65.25 -41.24 0.81 0.00 99.19 0.07 0.05 0.60 98.91 0.37 0.00 0.00 0.00 82 G H H 27.66 8.54 17.31 27.04 92.11 52.50 -63.20 -40.73 4.12 0.01 95.87 0.30 0.20 3.36 93.76 2.37 0.01 0.00 0.00 83 L H H 103.08 4.42 18.11 23.38 91.51 53.74 -66.89 -30.61 9.84 0.02 90.14 0.34 0.44 9.20 87.79 2.19 0.02 0.01 0.01 84 A C T 41.73 11.16 13.73 25.93 92.62 54.06 -82.93 -7.09 72.10 0.06 27.83 0.59 2.12 69.54 25.28 2.37 0.01 0.02 0.07 85 G C T 52.84 3.13 17.37 21.34 95.49 -111.78 80.76 12.02 99.60 0.01 0.39 0.95 2.97 95.78 0.20 0.09 0.00 0.00 0.01 86 F C S 84.46 10.85 14.47 26.10 97.44 119.13 -83.69 -22.58 99.47 0.38 0.16 22.42 74.60 2.48 0.04 0.09 0.00 0.14 0.22 87 F C S 66.11 13.92 12.46 26.63 122.21 36.74 -125.20 126.68 97.28 2.60 0.12 15.58 81.28 0.72 0.03 0.06 0.00 1.00 1.33 88 P C C 82.75 5.31 18.28 24.50 111.90 -120.33 -71.95 137.92 98.48 1.44 0.09 86.40 11.60 0.60 0.02 0.06 0.00 0.75 0.57 89 L C C 64.69 14.57 11.19 25.56 117.05 -127.86 -93.88 135.88 97.48 2.34 0.19 86.78 9.70 0.44 0.08 0.08 0.00 0.61 2.32 90 H C C 89.34 6.39 14.16 22.02 113.96 -119.24 -76.59 140.20 99.58 0.12 0.30 97.48 1.96 0.21 0.21 0.04 0.00 0.04 0.06 91 P H H 90.85 4.26 13.23 19.10 92.31 -120.07 -58.32 -35.38 16.14 0.07 83.79 4.10 2.04 9.83 79.17 4.77 0.01 0.03 0.04 92 M H H 119.17 2.07 15.92 18.03 92.43 54.33 -66.50 -35.77 9.50 0.07 90.42 1.94 1.06 6.18 85.77 4.97 0.02 0.04 0.03 93 M H H 56.21 9.69 14.19 25.18 92.93 50.49 -66.65 -40.09 4.48 0.09 95.43 1.82 0.62 2.05 90.65 4.77 0.01 0.06 0.03 94 I H H 51.00 11.84 14.32 27.02 92.09 50.43 -64.44 -42.33 1.98 0.04 97.98 0.93 0.27 0.80 97.16 0.81 0.00 0.02 0.01 95 T H H 70.48 2.71 19.05 21.42 91.72 49.29 -64.46 -42.05 1.46 0.03 98.52 0.59 0.15 0.60 98.30 0.33 0.00 0.01 0.00 96 N H H 82.07 3.03 19.41 22.23 91.91 49.20 -65.25 -40.81 1.18 0.01 98.81 0.37 0.12 0.55 98.75 0.20 0.00 0.00 0.00 97 A H H 19.17 11.44 14.64 27.96 91.66 51.05 -63.85 -41.82 0.75 0.00 99.25 0.22 0.06 0.34 99.25 0.12 0.00 0.00 0.00 98 E H H 83.96 5.49 18.23 24.68 91.59 50.43 -63.55 -41.53 0.41 0.00 99.59 0.09 0.03 0.20 99.62 0.06 0.00 0.00 0.00 99 R H H 128.20 2.00 19.20 20.24 91.83 50.14 -64.41 -41.71 0.30 0.00 99.70 0.05 0.02 0.15 99.74 0.04 0.00 0.00 0.00 100 L H H 70.09 4.54 16.65 22.38 92.03 49.62 -64.85 -41.12 0.31 0.00 99.69 0.05 0.02 0.16 99.74 0.04 0.00 0.00 0.00 101 R H H 105.98 6.40 15.68 23.17 91.95 50.78 -64.29 -41.07 0.29 0.00 99.71 0.05 0.01 0.15 99.75 0.04 0.00 0.00 0.00 102 R H H 133.98 2.21 16.76 18.93 91.78 49.96 -64.77 -40.98 0.35 0.00 99.65 0.05 0.02 0.19 99.71 0.04 0.00 0.00 0.00 103 K H H 115.78 1.91 16.92 18.32 91.91 49.84 -64.98 -41.11 0.50 0.00 99.50 0.08 0.03 0.26 99.58 0.04 0.00 0.00 0.00 104 R H H 120.60 3.19 15.91 19.70 91.95 49.39 -64.85 -40.78 0.51 0.00 99.49 0.09 0.03 0.25 99.57 0.05 0.00 0.00 0.00 105 A H H 53.72 3.11 15.04 19.07 91.82 50.38 -63.96 -40.94 0.60 0.00 99.40 0.13 0.04 0.28 99.50 0.05 0.00 0.00 0.00 106 R H H 135.93 1.93 15.95 17.64 92.09 49.80 -65.12 -40.99 0.65 0.00 99.35 0.13 0.05 0.32 99.44 0.07 0.00 0.00 0.00 107 E H H 106.06 2.07 15.62 17.59 92.13 49.61 -65.10 -41.13 0.69 0.00 99.31 0.15 0.05 0.33 99.39 0.07 0.00 0.00 0.00 108 V H H 80.59 2.18 15.11 17.42 91.99 49.50 -64.74 -41.91 0.93 0.00 99.06 0.22 0.07 0.46 99.11 0.12 0.00 0.00 0.00 109 L H H 87.64 2.20 14.18 16.78 91.90 49.72 -64.60 -41.30 1.50 0.01 98.49 0.33 0.12 0.82 98.51 0.22 0.00 0.00 0.00 110 L H H 92.58 1.95 13.41 15.69 92.10 50.21 -64.86 -40.66 2.75 0.01 97.23 0.66 0.28 1.52 97.11 0.42 0.00 0.00 0.00 111 A H H 64.27 1.89 12.27 14.71 92.24 51.00 -65.51 -37.56 6.52 0.03 93.45 1.45 0.68 3.84 93.30 0.71 0.00 0.01 0.01 112 S H H 76.65 1.56 11.13 13.16 93.14 51.87 -69.67 -31.13 18.59 0.09 81.31 4.07 2.23 11.57 80.86 1.18 0.01 0.03 0.05 113 Q H H 130.39 1.55 9.65 12.06 95.58 55.31 -74.66 -23.30 38.24 0.41 61.35 14.52 6.38 17.36 59.76 1.59 0.01 0.14 0.23 114 K C C 154.67 1.40 8.87 11.28 100.14 66.11 -80.01 -6.26 68.89 0.42 30.69 46.22 1.53 18.13 32.57 1.15 0.00 0.16 0.25 115 T C C 100.31 2.37 10.35 14.08 106.13 81.79 -87.27 52.71 99.92 0.02 0.06 99.77 0.08 0.10 0.04 0.00 0.00 0.01 0.00