# 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 N C C 82.30 6.54 13.08 20.98 110.96 -146.61 -94.58 115.44 99.97 0.02 0.01 99.91 0.06 0.02 0.00 0.00 0.00 0.01 0.00 1 P H H 78.45 4.40 12.08 18.05 101.68 -146.83 -67.34 -17.89 44.68 0.34 54.98 38.59 0.64 4.39 55.25 0.86 0.00 0.13 0.14 2 L H H 93.49 4.15 12.43 18.01 94.21 58.43 -64.99 -38.50 11.25 0.12 88.63 5.60 1.49 4.23 87.36 1.23 0.00 0.05 0.05 3 I H H 68.08 8.00 12.17 21.63 93.10 51.10 -66.12 -40.16 3.82 0.08 96.10 2.13 0.50 1.35 94.66 1.30 0.00 0.04 0.02 4 Q H H 96.34 3.74 14.93 19.68 92.36 51.37 -64.86 -40.36 1.95 0.05 98.00 1.11 0.26 0.69 97.00 0.91 0.00 0.03 0.01 5 E H H 103.50 2.28 16.35 18.49 92.02 50.34 -64.87 -40.94 1.90 0.05 98.06 0.89 0.24 0.81 97.40 0.62 0.00 0.03 0.01 6 L H H 63.01 5.87 15.20 22.66 92.50 49.67 -65.58 -41.42 2.46 0.06 97.48 0.99 0.31 1.18 96.87 0.60 0.00 0.03 0.02 7 T H H 45.93 9.13 14.36 24.82 92.70 50.22 -65.31 -40.91 4.37 0.07 95.56 1.63 0.56 2.20 94.88 0.67 0.01 0.03 0.03 8 Q H H 101.08 3.87 16.67 21.34 92.64 50.87 -65.71 -39.72 7.36 0.07 92.58 1.94 0.95 4.55 90.86 1.62 0.02 0.03 0.04 9 E H H 112.36 2.37 17.10 19.32 93.06 49.46 -67.49 -37.77 14.20 0.07 85.72 2.17 1.45 10.52 83.55 2.22 0.03 0.03 0.05 10 Q H H 78.79 7.48 14.78 23.42 94.16 49.85 -70.53 -33.07 27.99 0.19 71.82 5.40 3.38 19.48 68.67 2.84 0.04 0.07 0.12 11 L H H 62.99 11.53 12.38 24.53 95.81 58.97 -73.59 -22.46 48.53 1.08 50.38 24.36 8.38 17.42 42.97 5.74 0.04 0.48 0.61 12 R C C 142.75 4.62 14.65 20.56 98.43 66.63 -77.66 -12.06 63.02 1.59 35.39 37.85 8.40 16.73 27.97 7.43 0.01 0.78 0.83 13 T C C 86.40 4.46 13.95 19.60 105.18 77.75 -88.47 9.13 76.04 1.28 22.68 39.64 17.81 18.79 14.93 7.48 0.01 0.55 0.79 14 D C C 101.69 4.15 15.56 20.92 106.60 23.54 -92.18 83.74 90.75 1.13 8.12 61.93 15.11 13.81 3.71 4.17 0.00 0.54 0.74 15 I C C 52.09 16.86 10.79 26.96 117.47 128.53 -95.44 132.65 99.11 0.67 0.21 78.53 20.13 0.43 0.10 0.09 0.00 0.23 0.48 16 P C C 48.46 10.17 16.70 28.12 115.72 -110.85 -67.21 151.60 99.55 0.21 0.24 93.70 3.87 2.02 0.04 0.19 0.00 0.10 0.08 17 A C C 69.46 6.24 21.50 28.33 112.45 -107.56 -75.22 135.92 98.96 0.80 0.24 86.74 9.61 2.53 0.03 0.28 0.00 0.31 0.50 18 F C C 18.22 23.75 10.94 34.06 123.04 -151.26 -107.90 141.61 96.86 3.09 0.05 93.45 2.92 0.10 0.02 0.02 0.00 0.54 2.95 19 R C C 125.22 3.66 24.31 28.19 129.24 -165.22 -121.24 155.65 99.88 0.12 0.01 99.55 0.35 0.01 0.00 0.00 0.00 0.03 0.05 20 P C T 69.60 11.94 15.16 27.56 110.76 -83.75 -59.46 137.12 99.84 0.08 0.09 0.16 1.20 98.54 0.00 0.05 0.00 0.03 0.02 21 G C T 39.74 5.09 19.87 26.03 96.26 26.59 91.02 -6.88 99.92 0.04 0.04 0.22 1.19 98.54 0.00 0.03 0.00 0.02 0.00 22 D C C 33.35 13.06 16.23 30.73 118.49 131.73 -71.57 148.90 94.46 5.53 0.01 93.42 1.23 0.02 0.00 0.00 0.00 5.21 0.12 23 T E E 54.14 9.74 22.44 32.78 119.19 -131.00 -102.35 133.71 1.41 98.59 0.00 1.47 0.02 0.00 0.00 0.00 0.00 98.36 0.15 24 V E E 5.34 24.52 15.78 40.80 127.49 -170.58 -123.55 142.86 0.22 99.78 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 25 R E E 93.25 8.14 25.72 34.37 116.02 -138.15 -100.53 127.12 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 26 V E E 3.87 25.65 16.00 42.63 120.65 -164.97 -112.91 131.06 0.21 99.79 0.00 0.18 0.01 0.00 0.00 0.00 0.00 99.81 0.00 27 H E E 57.46 9.46 25.24 35.30 122.95 -167.60 -117.35 134.25 0.18 99.82 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 28 A E E 7.98 22.00 16.37 38.47 127.81 -171.35 -124.86 142.03 0.22 99.78 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 29 K E E 77.05 8.43 22.17 31.31 118.21 -148.46 -108.44 127.86 0.42 99.58 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.61 0.00 30 V E E 23.53 16.34 13.90 31.03 122.06 -166.89 -114.74 134.95 0.93 99.07 0.00 0.79 0.04 0.00 0.00 0.00 0.00 99.15 0.01 31 V E E 68.85 6.64 14.47 23.01 116.18 -146.02 -105.52 126.42 4.61 95.37 0.01 3.81 0.41 0.04 0.00 0.01 0.00 95.64 0.09 32 E E E 100.34 5.87 10.18 17.93 114.16 -177.75 -124.28 109.42 18.69 81.09 0.22 13.37 3.87 1.33 0.03 0.20 0.00 80.80 0.39 33 G C T 62.51 0.60 12.31 11.82 110.37 -49.28 63.03 -130.15 99.20 0.35 0.45 1.80 16.87 80.44 0.01 0.54 0.00 0.28 0.06 34 T C T 129.79 0.33 10.42 9.26 96.27 -21.73 -89.13 -0.36 99.34 0.27 0.38 1.77 17.48 80.03 0.01 0.46 0.00 0.21 0.04 35 R E E 145.94 2.25 10.24 14.25 121.13 87.81 -104.11 142.61 18.20 81.72 0.07 12.40 5.20 0.72 0.01 0.07 0.00 81.21 0.39 36 E E E 114.91 6.69 9.94 18.64 120.44 -148.98 -105.48 135.63 5.85 94.14 0.00 5.07 0.25 0.02 0.00 0.00 0.00 94.61 0.05 37 R E E 103.39 6.04 14.55 22.45 128.91 -177.73 -130.40 147.93 1.53 98.47 0.00 1.34 0.05 0.00 0.00 0.00 0.00 98.59 0.01 38 I E E 86.67 9.91 14.36 25.37 118.45 -135.41 -101.45 131.87 0.60 99.40 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.44 0.00 39 Q E E 54.56 11.96 16.62 29.65 129.23 -175.28 -128.98 146.00 0.27 99.73 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.76 0.00 40 L E E 72.86 10.45 19.99 31.01 117.35 -132.80 -97.31 131.29 0.22 99.78 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.81 0.00 41 F E E 14.42 20.89 16.73 37.85 130.82 -174.63 -128.09 150.01 0.19 99.81 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 42 E E E 71.54 10.90 25.48 36.46 123.34 -148.14 -114.05 137.78 0.50 99.50 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.59 0.00 43 G E E 4.00 18.95 22.47 41.49 145.04 124.96 -153.41 -173.42 1.00 99.00 0.00 0.73 0.08 0.00 0.00 0.00 0.00 99.19 0.00 44 V E E 30.84 13.16 26.28 40.44 122.26 -74.63 -112.33 136.52 0.31 99.69 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.72 0.00 45 V E E 6.35 24.26 18.03 43.25 109.54 -118.17 -75.73 124.10 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 46 I E E 43.51 12.41 23.43 36.55 100.78 174.18 -99.40 -31.36 0.51 99.49 0.00 0.36 0.06 0.00 0.00 0.00 0.00 99.57 0.00 47 K E E 78.40 7.00 25.33 33.33 141.46 -1.26 -157.70 151.61 0.45 99.55 0.00 0.34 0.04 0.00 0.00 0.00 0.00 99.61 0.00 48 R E E 76.71 19.79 13.89 32.23 125.68 -159.55 -127.34 133.29 2.34 97.66 0.00 2.19 0.09 0.01 0.00 0.00 0.00 97.62 0.09 49 R E E 122.18 5.34 18.74 25.21 125.32 -176.18 -126.28 143.64 29.79 70.16 0.04 24.79 3.57 0.35 0.01 0.04 0.00 70.79 0.46 50 G C C 47.02 3.38 15.26 19.89 123.58 15.86 96.93 -169.09 76.19 23.69 0.12 43.33 29.40 2.46 0.01 0.15 0.00 24.14 0.51 51 A C C 82.61 3.27 13.35 18.29 122.02 -106.87 -123.33 134.43 84.27 15.35 0.38 44.03 37.37 3.34 0.07 0.42 0.00 12.67 2.11 52 G C S 48.50 2.25 15.43 18.16 119.74 1.01 79.68 -155.65 93.07 2.57 4.35 6.23 61.27 25.90 0.25 3.96 0.00 1.56 0.85 53 I C T 117.00 5.89 13.67 20.74 94.40 -33.47 -73.25 -18.58 93.23 0.97 5.80 3.33 33.27 55.73 0.16 6.59 0.00 0.60 0.32 54 S C T 58.06 7.66 15.98 24.61 99.02 57.22 -96.05 5.76 81.61 13.15 5.23 15.61 21.66 43.08 0.16 6.69 0.00 12.18 0.61 55 E C C 40.91 13.61 14.99 29.77 116.53 117.00 -83.65 140.60 60.94 38.58 0.48 55.86 2.98 0.65 0.05 0.40 0.00 39.63 0.43 56 T E E 34.55 12.21 21.52 34.42 130.22 -162.29 -127.86 149.52 8.04 91.94 0.01 7.22 0.48 0.02 0.00 0.01 0.00 92.08 0.19 57 Y E E 13.71 21.94 18.94 41.01 126.56 -160.47 -121.35 141.52 0.54 99.46 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.52 0.01 58 T E E 22.20 13.00 25.31 39.30 120.74 -152.82 -112.60 133.59 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 59 V E E 4.98 23.90 19.66 44.06 120.90 -164.44 -113.17 132.42 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 60 R E E 59.42 13.76 23.66 37.26 123.86 -167.00 -115.78 136.18 0.46 99.54 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.00 61 K E E 51.29 14.53 19.50 34.04 131.54 -168.82 -127.91 146.22 1.26 98.74 0.00 1.06 0.07 0.00 0.00 0.00 0.00 98.86 0.01 62 V E E 53.70 12.30 16.37 29.51 117.22 -140.03 -105.41 126.16 3.94 96.05 0.02 3.34 0.35 0.03 0.00 0.01 0.00 96.17 0.10 63 S E E 42.70 9.64 12.38 23.58 126.04 169.31 -137.43 135.54 8.95 90.90 0.14 6.27 2.16 0.62 0.03 0.11 0.00 90.03 0.78 64 N C T 140.96 0.87 14.46 14.55 92.80 -13.52 52.15 43.10 99.26 0.45 0.29 0.46 6.24 92.63 0.01 0.29 0.00 0.32 0.06 65 G C T 56.46 2.78 13.70 17.26 94.58 -49.85 81.78 1.42 99.63 0.18 0.19 0.46 6.15 93.04 0.00 0.20 0.00 0.13 0.02 66 V E E 64.76 7.74 15.25 24.67 123.08 107.08 -111.50 134.50 4.81 95.16 0.03 3.21 1.31 0.13 0.01 0.01 0.00 95.01 0.32 67 G E E 22.93 13.36 15.48 29.44 119.09 -136.89 -87.36 142.78 2.20 97.80 0.00 1.77 0.15 0.01 0.00 0.00 0.00 98.04 0.02 68 V E E 30.45 14.41 18.78 34.16 124.97 -167.08 -124.77 136.21 0.75 99.25 0.00 0.68 0.02 0.00 0.00 0.00 0.00 99.29 0.01 69 E E E 71.69 14.98 19.24 33.77 124.26 -161.92 -117.60 134.24 0.53 99.47 0.00 0.44 0.02 0.00 0.00 0.00 0.00 99.54 0.00 70 R E E 62.50 14.39 20.86 35.18 130.32 -175.57 -131.87 143.40 0.16 99.84 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 71 T E E 51.65 13.98 21.76 35.35 121.83 -153.58 -114.70 131.37 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 72 F E E 17.36 19.95 18.56 38.67 127.81 -173.75 -129.36 140.58 0.80 99.20 0.00 0.71 0.01 0.00 0.00 0.00 0.00 99.25 0.01 73 P E E 42.70 9.04 24.09 33.98 113.75 -109.40 -67.21 142.55 7.54 92.44 0.01 6.58 0.48 0.08 0.00 0.01 0.00 92.64 0.22 74 L C T 28.66 21.45 16.27 37.10 93.27 -116.55 -61.85 -28.27 95.38 3.71 0.91 7.03 11.80 76.49 0.06 0.97 0.00 3.31 0.33 75 H C T 99.44 8.96 22.18 31.66 94.47 57.59 -86.84 4.71 98.16 1.19 0.64 6.01 14.19 77.78 0.04 0.83 0.00 0.92 0.23 76 T C C 20.72 17.78 14.12 32.51 112.05 125.89 -72.66 130.98 97.21 2.31 0.48 65.88 30.72 0.79 0.14 0.36 0.00 1.11 1.01 77 P C T 81.54 5.97 21.36 28.25 93.33 -129.32 -65.17 -22.04 94.57 1.49 3.94 5.47 17.66 71.65 1.48 2.33 0.04 1.00 0.37 78 R C T 81.56 13.22 19.59 32.54 96.32 59.36 -86.18 -3.69 86.60 9.86 3.53 8.53 10.54 67.76 1.22 2.39 0.02 8.91 0.62 79 V E E 10.45 24.33 12.70 36.87 110.18 104.13 -83.06 118.56 9.78 87.82 2.41 8.89 0.77 0.28 1.60 0.63 0.00 86.93 0.90 80 A E E 53.09 6.64 22.58 29.77 99.85 176.19 -90.05 -33.98 8.86 89.63 1.51 6.73 1.39 0.38 0.86 0.39 0.00 90.11 0.15 81 Q E E 80.09 5.60 25.06 31.48 140.77 -2.03 -153.85 153.03 2.75 96.71 0.54 2.07 0.27 0.13 0.23 0.12 0.00 97.15 0.04 82 I E E 18.55 24.52 13.05 37.28 123.42 -159.43 -126.63 129.94 1.76 97.80 0.44 1.58 0.08 0.04 0.29 0.06 0.00 97.92 0.03 83 E E E 87.71 5.45 25.54 31.20 120.56 -168.34 -119.69 129.61 1.33 98.41 0.25 1.18 0.06 0.03 0.19 0.03 0.00 98.49 0.02 84 V E E 46.18 18.21 14.41 32.19 111.41 -133.52 -83.25 122.93 3.16 96.40 0.44 2.99 0.10 0.06 0.35 0.07 0.00 96.35 0.08 85 V E E 65.88 7.62 18.93 27.76 101.84 175.67 -97.35 -32.50 13.86 84.87 1.27 11.59 1.57 0.49 0.81 0.37 0.00 84.94 0.22 86 R E E 107.65 6.02 20.13 27.25 137.36 -0.07 -151.58 148.69 21.28 77.10 1.63 17.21 3.30 0.92 0.95 0.61 0.00 76.56 0.44 87 Y E E 112.05 14.17 13.93 27.76 122.43 -159.98 -117.44 134.49 48.01 49.07 2.92 40.06 5.28 1.68 1.51 1.16 0.00 49.42 0.90 88 G C C 26.70 9.76 15.22 25.76 128.85 158.75 -123.90 169.96 80.91 12.75 6.34 51.21 23.00 6.69 4.25 2.11 0.01 11.56 1.18 89 K C C 144.71 3.04 18.07 21.77 108.57 -77.15 -89.26 108.05 78.29 8.10 13.61 53.91 18.06 6.29 10.65 3.32 0.01 6.26 1.49 90 V C C 50.99 15.20 10.83 25.56 117.32 -151.46 -98.59 132.79 70.26 6.52 23.22 56.10 8.42 5.17 19.45 4.53 0.01 4.72 1.60 91 R C C 133.62 5.71 16.50 23.17 110.57 -153.46 -89.91 110.32 68.74 4.15 27.11 52.35 9.64 6.28 22.58 5.25 0.01 2.77 1.13 92 R C C 125.05 8.66 15.59 24.75 102.82 -31.61 -76.84 -21.18 57.64 3.38 38.98 39.09 10.80 7.88 30.88 8.20 0.02 2.18 0.93 93 A C C 47.69 10.51 15.08 26.22 100.45 52.92 -71.74 -22.78 53.85 2.90 43.25 36.47 8.63 8.56 33.99 9.58 0.01 2.03 0.73 94 K C H 97.83 8.94 18.17 27.42 97.50 67.37 -77.26 -14.69 49.30 4.26 46.43 33.91 7.46 8.12 37.12 9.15 0.02 3.32 0.90 95 L H H 35.11 17.54 14.52 31.55 97.24 73.29 -76.12 -18.36 33.72 5.71 60.57 26.00 4.30 4.52 49.43 9.94 0.02 5.06 0.73 96 Y H H 97.70 8.46 18.90 28.08 93.73 79.15 -66.87 -35.51 20.67 6.18 73.15 10.78 3.35 7.23 56.41 15.37 0.04 6.28 0.52 97 Y H H 85.34 9.34 18.57 28.66 93.09 54.37 -69.51 -31.33 19.28 7.41 73.31 9.31 2.98 7.62 55.15 16.77 0.07 7.53 0.57 98 L H H 28.66 18.55 14.55 32.79 93.93 60.24 -71.74 -24.94 14.07 5.34 80.59 7.59 2.28 4.81 57.09 22.42 0.05 5.38 0.39 99 R H H 110.24 10.30 16.88 27.76 92.32 68.54 -65.92 -30.21 25.62 4.61 69.77 7.37 3.98 13.68 49.95 19.99 0.33 3.94 0.77 100 A H H 71.21 3.98 18.98 23.14 95.79 53.74 -90.05 -5.26 46.99 2.39 50.62 10.34 6.57 28.74 34.90 16.78 0.18 1.69 0.79 101 L C C 43.37 16.77 9.64 25.83 113.31 108.11 -78.22 130.27 77.86 2.42 19.73 55.63 13.91 7.20 17.69 3.33 0.00 1.25 0.98 102 H C C 129.80 3.92 16.43 21.49 118.34 -168.96 -110.04 140.94 77.82 3.06 19.11 53.22 11.83 10.92 18.47 2.68 0.01 1.55 1.31 103 G C H 37.99 4.29 17.09 22.13 121.53 13.04 89.11 -167.78 59.55 1.44 39.01 20.25 23.43 16.25 34.48 4.26 0.05 0.62 0.67 104 K H H 120.01 6.50 15.70 23.32 94.24 -43.59 -66.25 -34.07 21.00 0.66 78.34 7.54 4.93 9.62 66.44 10.75 0.07 0.43 0.22 105 A H H 41.28 9.48 14.44 25.28 92.18 54.94 -65.11 -37.85 15.64 0.97 83.40 6.15 2.75 7.21 69.83 13.00 0.05 0.81 0.20 106 A H H 36.78 7.58 15.20 24.62 92.67 54.48 -65.90 -37.98 15.00 1.49 83.51 7.80 2.59 5.43 70.20 12.39 0.03 1.31 0.26 107 R H H 115.58 5.71 17.64 24.15 93.65 53.78 -68.98 -35.25 20.83 3.35 75.81 12.40 3.93 6.52 66.44 7.26 0.06 2.75 0.64 108 I H H 55.94 11.03 13.67 25.73 94.77 57.39 -68.38 -37.78 22.29 3.83 73.87 15.40 4.01 4.85 67.53 4.48 0.03 3.09 0.60 109 K H H 111.72 5.57 15.45 22.01 95.74 55.37 -69.52 -35.50 24.88 3.82 71.30 16.89 3.65 5.76 64.71 5.16 0.03 3.22 0.59 110 E H H 107.88 4.70 13.78 19.64 98.53 58.27 -74.38 -27.89 29.28 3.39 67.32 17.82 4.71 8.21 59.63 6.29 0.04 2.63 0.68 111 I H H 89.47 7.73 11.00 19.84 100.15 60.19 -76.61 -23.23 36.79 2.75 60.46 21.86 5.82 10.51 54.42 4.77 0.04 1.78 0.79 112 R C C 145.31 4.73 10.83 17.16 103.44 60.74 -85.02 18.52 58.87 1.43 39.70 40.23 1.72 15.84 38.23 2.59 0.00 0.76 0.62 113 R C C 158.71 3.58 12.42 17.57 105.32 76.03 -82.24 57.89 99.76 0.03 0.20 99.39 0.10 0.30 0.17 0.01 0.00 0.02 0.01