# 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 100.29 7.46 11.63 20.35 116.99 -164.37 -97.78 133.19 99.92 0.06 0.01 99.87 0.07 0.02 0.01 0.00 0.00 0.02 0.01 1 N C C 85.44 4.56 11.83 17.89 111.08 -133.60 -86.71 121.74 90.50 3.60 5.89 88.71 0.72 1.37 5.48 0.43 0.00 1.36 1.92 2 R H H 139.86 4.84 11.43 17.99 95.01 -143.94 -66.13 -33.71 16.41 1.20 82.40 8.17 3.22 6.30 76.44 4.68 0.08 0.74 0.37 3 L H H 89.84 4.62 12.08 18.16 93.26 54.49 -67.19 -37.44 8.20 0.25 91.55 2.55 1.19 4.30 82.48 9.23 0.02 0.16 0.06 4 D H H 78.54 3.47 13.60 18.20 93.48 53.23 -67.70 -36.84 5.82 0.19 93.98 2.04 0.82 2.82 84.00 10.13 0.01 0.13 0.04 5 F H H 94.58 6.02 12.87 20.42 94.41 52.28 -68.54 -37.27 7.46 0.29 92.25 2.39 1.16 3.94 84.37 7.84 0.04 0.18 0.08 6 V H H 73.22 6.82 13.44 21.49 95.92 51.45 -72.44 -32.35 17.60 0.88 81.52 4.96 3.09 10.40 77.10 3.44 0.15 0.48 0.37 7 D H H 89.82 4.43 14.77 20.14 98.96 53.03 -85.86 -4.93 43.88 0.63 55.49 12.12 7.32 24.70 52.44 2.79 0.03 0.27 0.34 8 K H H 103.68 7.03 12.54 20.92 107.52 96.65 -78.44 129.33 43.76 0.52 55.72 15.28 11.19 17.16 37.73 18.07 0.04 0.22 0.32 9 P H H 81.43 4.91 14.15 20.28 100.11 -82.60 -69.57 -19.38 40.50 0.55 58.96 12.46 6.42 19.97 34.87 25.67 0.04 0.27 0.29 10 S H H 56.19 6.11 14.49 21.80 101.70 56.77 -77.97 -14.58 40.81 1.23 57.97 17.03 6.71 16.41 30.19 28.42 0.04 0.63 0.56 11 L C C 59.26 12.09 12.46 25.03 96.93 73.21 -74.59 -18.87 49.26 2.23 48.51 30.33 9.00 10.08 28.55 19.87 0.02 1.10 1.04 12 R C C 120.11 9.48 13.44 23.52 98.11 72.25 -73.52 -21.14 51.04 2.37 46.59 31.90 7.59 11.57 20.04 26.62 0.01 1.33 0.93 13 D C G 111.71 2.30 15.65 18.39 97.38 64.88 -79.12 -15.43 59.03 1.31 39.66 20.06 13.55 25.88 12.65 26.44 0.04 0.63 0.76 14 D C C 96.54 4.62 15.70 21.37 101.64 53.22 -94.79 12.46 68.84 1.04 30.13 29.33 13.80 25.86 6.42 23.50 0.01 0.49 0.60 15 I C C 42.42 18.74 10.50 28.26 116.96 112.31 -89.07 133.67 98.97 0.77 0.26 50.59 48.07 0.38 0.12 0.09 0.00 0.19 0.55 16 P C C 47.49 9.95 17.70 28.90 115.91 -111.19 -67.72 151.22 99.47 0.32 0.21 95.23 3.10 1.22 0.03 0.15 0.00 0.15 0.12 17 A C C 68.83 6.91 21.77 29.32 113.32 -107.84 -74.62 136.19 97.69 2.08 0.24 88.42 8.08 1.14 0.03 0.24 0.00 0.78 1.30 18 F C C 15.15 24.01 11.60 35.28 123.71 -155.63 -111.93 141.36 88.95 11.00 0.05 86.58 2.47 0.07 0.02 0.02 0.00 1.77 9.09 19 N C C 79.83 4.27 24.85 29.20 131.01 -161.96 -120.37 160.70 99.84 0.15 0.01 99.58 0.31 0.01 0.00 0.00 0.00 0.04 0.06 20 P C T 67.17 12.30 15.46 28.12 110.60 -78.42 -59.41 136.84 99.86 0.07 0.07 0.12 1.14 98.66 0.00 0.04 0.00 0.03 0.02 21 G C T 39.52 5.28 20.04 26.35 96.46 26.37 90.89 -6.80 99.93 0.04 0.03 0.19 1.17 98.59 0.00 0.02 0.00 0.03 0.00 22 D C C 33.96 13.10 16.31 30.78 118.99 131.07 -71.89 149.48 94.15 5.84 0.00 93.18 1.19 0.02 0.00 0.00 0.00 5.48 0.13 23 T E E 56.63 9.68 22.29 32.53 120.18 -133.68 -103.67 134.66 1.35 98.65 0.00 1.40 0.02 0.00 0.00 0.00 0.00 98.46 0.12 24 I E E 6.38 24.22 15.68 40.41 127.77 -171.71 -124.67 141.47 0.17 99.83 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 25 N E E 63.62 7.73 25.51 33.83 114.58 -134.67 -95.83 126.52 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 26 V E E 4.06 25.57 15.59 42.11 121.31 -166.87 -114.68 131.96 0.27 99.73 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.00 27 H E E 57.32 9.05 25.28 35.06 120.11 -164.50 -113.73 131.35 0.19 99.81 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 28 V E E 10.85 22.07 16.31 38.65 123.03 -166.29 -118.58 133.67 0.29 99.71 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.74 0.00 29 K E E 74.48 8.28 21.98 31.09 117.38 -154.59 -105.31 127.87 1.02 98.98 0.00 0.92 0.03 0.00 0.00 0.00 0.00 99.04 0.01 30 V E E 26.26 15.60 13.79 30.32 121.30 -167.88 -112.75 135.67 3.16 96.83 0.01 2.65 0.24 0.03 0.00 0.01 0.00 97.00 0.07 31 I E E 77.33 6.60 13.79 22.39 115.54 -143.64 -103.94 124.52 13.63 86.26 0.11 11.44 1.57 0.28 0.02 0.08 0.00 86.22 0.38 32 E E E 106.61 5.49 9.91 17.32 114.78 -176.34 -123.01 113.64 40.36 56.98 2.66 14.27 10.57 17.61 0.25 2.48 0.00 54.00 0.82 33 G C T 63.99 0.56 12.03 11.46 109.10 -39.74 66.55 -125.43 96.60 0.79 2.61 5.32 16.62 74.13 0.14 3.01 0.00 0.60 0.18 34 A C T 105.04 0.44 10.23 9.69 98.16 -26.14 -87.24 -1.17 95.61 1.24 3.15 7.36 27.24 60.52 0.16 3.55 0.00 0.92 0.24 35 K E E 133.52 1.92 10.03 13.50 121.57 90.25 -102.44 144.87 34.18 65.43 0.39 18.88 13.63 3.61 0.06 0.39 0.00 62.41 1.02 36 E E E 120.39 5.97 9.54 17.62 118.88 -136.28 -100.80 135.43 20.29 79.62 0.09 17.00 1.87 0.38 0.01 0.07 0.00 80.38 0.28 37 R E E 104.95 5.97 13.87 21.79 128.53 -177.28 -130.46 148.49 6.50 93.47 0.03 5.60 0.48 0.08 0.00 0.01 0.00 93.71 0.12 38 L E E 89.79 8.97 14.14 24.40 118.45 -130.02 -98.78 132.97 2.65 97.34 0.00 2.44 0.10 0.01 0.00 0.00 0.00 97.42 0.04 39 Q E E 52.18 12.57 16.02 29.59 129.22 -174.94 -128.26 146.03 1.12 98.88 0.00 1.02 0.05 0.00 0.00 0.00 0.00 98.92 0.01 40 V E E 65.42 10.10 20.20 30.98 118.13 -137.56 -101.21 130.56 0.35 99.65 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.67 0.00 41 F E E 13.64 21.33 16.46 37.99 129.47 -173.51 -125.70 148.40 0.23 99.77 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 42 K E E 84.52 10.28 25.51 35.90 123.48 -149.33 -114.57 138.20 0.73 99.27 0.00 0.59 0.02 0.00 0.00 0.00 0.00 99.39 0.00 43 G E E 3.80 19.23 22.47 41.75 145.13 126.74 -167.47 -173.26 1.31 98.69 0.00 0.94 0.12 0.00 0.00 0.00 0.00 98.93 0.01 44 V E E 31.41 12.98 26.39 40.41 122.84 -74.10 -111.62 136.89 0.33 99.67 0.00 0.28 0.00 0.00 0.00 0.00 0.00 99.71 0.00 45 V E E 5.94 24.34 18.07 43.42 109.54 -117.71 -75.00 124.34 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 46 I E E 42.77 12.62 23.61 36.89 100.73 174.14 -99.37 -30.93 0.47 99.53 0.00 0.32 0.06 0.00 0.00 0.00 0.00 99.61 0.00 47 R E E 90.20 6.91 25.42 33.33 141.34 -1.35 -157.39 151.52 0.38 99.62 0.00 0.29 0.03 0.00 0.00 0.00 0.00 99.68 0.00 48 R E E 76.05 19.97 13.78 32.24 125.43 -159.23 -127.00 132.41 2.26 97.74 0.00 2.13 0.08 0.00 0.00 0.00 0.00 97.68 0.10 49 Q E E 94.62 5.62 18.60 25.30 126.14 -176.07 -128.82 144.22 32.39 67.56 0.05 26.69 4.25 0.39 0.01 0.05 0.00 68.16 0.47 50 G C C 49.53 2.92 15.53 19.46 119.50 16.29 95.02 -168.98 80.97 18.90 0.13 46.54 29.78 3.35 0.01 0.16 0.00 19.63 0.53 51 G C C 51.11 4.15 12.77 18.64 122.51 -26.84 -140.55 152.01 90.22 9.45 0.33 47.01 39.11 4.42 0.04 0.39 0.00 7.33 1.70 52 G C S 47.54 2.48 14.72 18.01 121.34 20.45 82.73 -156.94 93.92 3.29 2.79 7.12 69.76 17.32 0.21 2.44 0.00 2.02 1.14 53 I C T 123.74 4.51 13.73 19.44 94.14 -39.38 -73.07 -21.91 95.15 1.12 3.72 2.39 39.26 53.25 0.10 4.00 0.00 0.69 0.30 54 R C T 128.63 6.51 15.99 23.41 101.70 52.26 -97.48 16.46 86.01 10.57 3.41 12.39 26.64 46.41 0.12 4.21 0.00 9.57 0.67 55 E C C 41.88 13.82 14.94 29.76 116.10 128.67 -84.32 138.79 59.85 39.83 0.32 54.93 2.92 0.53 0.04 0.25 0.00 40.88 0.45 56 T E E 29.34 12.41 21.54 34.81 133.09 -169.06 -132.71 153.00 6.20 93.78 0.01 5.54 0.35 0.02 0.00 0.01 0.00 93.87 0.20 57 F E E 10.58 22.24 19.05 41.61 125.83 -155.00 -119.11 139.40 0.61 99.38 0.00 0.52 0.02 0.00 0.00 0.00 0.00 99.45 0.01 58 T E E 22.07 12.70 25.38 39.17 120.39 -153.17 -111.88 134.20 0.19 99.81 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 59 V E E 4.89 23.88 19.25 43.70 121.83 -165.10 -115.11 133.38 0.35 99.65 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.69 0.00 60 R E E 62.24 12.66 23.39 36.19 123.85 -165.44 -113.77 136.79 0.90 99.09 0.01 0.74 0.04 0.01 0.00 0.00 0.00 99.20 0.01 61 K E E 48.38 15.02 17.49 32.74 129.26 -173.73 -122.81 147.00 2.32 97.66 0.02 1.78 0.31 0.04 0.00 0.01 0.00 97.81 0.05 62 E E E 84.44 9.26 16.19 26.67 117.25 -136.92 -104.91 126.92 9.63 90.29 0.08 7.96 1.21 0.17 0.02 0.05 0.00 90.36 0.23 63 S E E 46.29 8.85 11.32 21.80 125.40 169.35 -135.17 134.67 19.72 79.75 0.53 12.45 5.92 2.48 0.12 0.42 0.00 77.38 1.23 64 Y C T 197.76 1.14 13.45 14.46 94.14 -14.39 50.89 42.88 97.97 1.27 0.76 1.86 14.50 81.62 0.04 0.79 0.00 0.99 0.20 65 G C T 59.70 1.86 12.96 15.35 95.99 -48.31 82.44 0.63 98.88 0.60 0.52 1.87 15.23 81.75 0.02 0.57 0.00 0.47 0.09 66 V E E 76.45 5.69 13.92 21.32 122.14 101.21 -111.51 135.11 12.84 87.05 0.11 8.79 3.59 0.60 0.02 0.08 0.00 86.25 0.67 67 G E E 27.29 12.50 13.32 26.33 121.96 -148.64 -95.33 148.92 5.40 94.59 0.01 4.35 0.58 0.04 0.00 0.01 0.00 94.94 0.08 68 V E E 42.96 11.56 18.17 31.07 124.31 -165.93 -124.63 135.63 1.72 98.28 0.00 1.56 0.07 0.01 0.00 0.00 0.00 98.34 0.03 69 E E E 80.47 14.11 17.64 31.52 122.37 -156.97 -110.98 134.32 1.18 98.82 0.00 1.01 0.04 0.00 0.00 0.00 0.00 98.94 0.01 70 R E E 69.24 13.32 19.95 33.47 131.12 -174.66 -132.45 145.03 0.32 99.67 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 71 T E E 57.41 13.31 20.75 33.83 122.36 -150.08 -113.86 132.89 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 72 F E E 19.99 19.31 18.24 37.73 128.62 -173.44 -130.99 141.35 0.78 99.22 0.00 0.70 0.02 0.00 0.00 0.00 0.00 99.27 0.02 73 P E E 45.77 8.71 23.98 33.44 113.21 -107.29 -67.69 143.54 8.02 91.96 0.02 6.75 0.69 0.13 0.00 0.02 0.00 92.19 0.22 74 V C T 23.37 22.02 16.14 37.49 93.10 -118.72 -62.77 -27.90 93.55 5.37 1.08 12.32 14.66 66.36 0.08 1.19 0.00 4.90 0.50 75 H C T 96.51 9.52 22.33 32.25 94.46 57.94 -87.42 3.80 97.13 2.07 0.81 10.94 19.07 66.85 0.05 1.05 0.00 1.55 0.49 76 S C C 16.71 17.54 14.36 32.56 113.25 122.64 -72.88 134.51 96.73 2.64 0.63 56.11 39.39 1.35 0.12 0.54 0.00 1.17 1.32 77 P C T 81.25 6.18 21.42 28.51 92.80 -129.59 -65.57 -19.65 96.77 1.01 2.22 3.11 12.02 81.45 0.20 2.27 0.00 0.71 0.25 78 N C T 48.36 13.74 18.86 32.87 94.59 61.79 -86.52 -2.47 93.13 5.10 1.77 5.26 7.76 80.29 0.23 1.71 0.00 4.34 0.43 79 I E E 11.06 24.34 12.27 36.57 111.32 105.84 -82.50 119.74 12.05 87.72 0.23 11.51 0.61 0.08 0.09 0.10 0.00 86.81 0.80 80 D E E 78.79 5.42 22.63 28.73 100.28 175.26 -94.96 -32.69 10.60 89.29 0.12 8.15 1.72 0.12 0.03 0.05 0.00 89.85 0.08 81 H E E 83.94 5.86 24.93 31.69 140.57 2.73 -155.26 151.63 1.66 98.30 0.04 1.21 0.16 0.03 0.00 0.01 0.00 98.57 0.01 82 I E E 17.75 24.57 13.27 37.64 124.15 -160.30 -128.99 129.22 0.67 99.31 0.01 0.62 0.01 0.00 0.00 0.00 0.00 99.35 0.00 83 E E E 87.31 5.61 25.71 31.53 121.15 -168.85 -119.98 128.74 0.43 99.56 0.02 0.39 0.01 0.00 0.01 0.00 0.00 99.59 0.00 84 V E E 46.04 18.24 14.70 32.51 110.92 -132.18 -81.75 122.68 1.19 98.75 0.06 1.15 0.02 0.01 0.04 0.01 0.00 98.75 0.02 85 V E E 63.63 8.02 19.36 28.56 101.39 175.25 -97.01 -32.88 7.85 91.94 0.22 6.07 1.24 0.23 0.09 0.07 0.00 92.21 0.09 86 T E E 55.89 7.50 20.64 29.18 137.81 2.16 -151.95 149.64 13.82 85.97 0.21 10.13 3.52 0.47 0.06 0.11 0.00 85.48 0.22 87 R E E 112.77 14.57 14.61 28.63 124.46 -161.41 -124.39 134.72 41.32 57.96 0.72 35.38 4.45 0.92 0.25 0.40 0.00 57.83 0.77 88 G C C 25.64 10.35 15.55 26.58 125.50 -154.07 -106.58 -170.59 83.62 12.91 3.47 50.87 26.48 6.54 1.41 1.83 0.00 11.68 1.20 89 D C C 111.31 2.65 18.53 21.44 105.49 -71.69 -83.54 82.40 85.94 6.15 7.91 57.39 21.64 7.09 5.09 2.94 0.00 4.53 1.33 90 V C C 48.18 15.51 11.19 26.19 114.35 156.75 -96.22 125.38 72.94 5.45 21.61 56.21 9.77 6.20 17.41 5.15 0.01 3.74 1.51 91 R C C 128.81 6.34 17.23 24.39 108.91 -162.99 -87.24 95.66 72.17 4.08 23.75 57.70 7.68 6.07 19.29 5.34 0.00 2.77 1.15 92 R C C 118.95 10.01 16.29 26.45 96.49 47.58 -70.37 -28.05 52.65 4.01 43.34 35.00 9.37 8.37 32.28 11.18 0.03 2.86 0.92 93 A C H 41.09 11.22 15.95 27.85 96.99 69.60 -71.23 -26.56 48.09 4.86 47.05 30.53 8.09 9.26 34.55 12.80 0.03 3.90 0.83 94 K H H 90.79 9.95 19.06 29.19 96.17 63.31 -73.85 -19.93 44.28 7.32 48.41 30.29 6.22 7.87 36.10 12.30 0.03 6.20 0.99 95 L H H 32.94 17.21 16.01 32.95 95.52 65.56 -73.21 -29.49 29.76 9.83 60.42 22.04 3.86 4.56 47.25 12.26 0.02 9.25 0.76 96 Y H H 83.15 10.11 19.39 30.09 93.73 75.95 -66.12 -35.81 20.98 10.71 68.31 10.35 3.35 7.76 51.12 15.97 0.05 10.76 0.64 97 Y H H 73.71 10.10 18.89 29.86 93.80 52.54 -73.09 -28.21 20.44 12.60 66.97 9.67 3.19 8.06 49.00 16.88 0.07 12.39 0.74 98 L H H 33.11 16.64 15.61 32.21 93.35 65.23 -68.44 -34.41 16.40 10.09 73.50 9.06 2.68 5.02 52.56 19.90 0.05 10.13 0.60 99 R H H 100.63 10.17 16.88 27.64 92.75 60.81 -66.39 -33.34 24.01 7.43 68.56 8.69 3.88 11.26 48.64 19.24 0.21 7.27 0.80 100 E H H 111.75 4.28 18.38 23.17 95.70 50.70 -84.90 -9.11 36.51 4.90 58.59 11.12 5.59 19.02 40.96 18.07 0.23 4.10 0.90 101 L C C 45.99 14.52 10.80 25.38 104.29 95.34 -76.71 53.91 56.86 4.65 38.49 32.81 12.32 12.30 30.19 8.00 0.06 2.96 1.35 102 R C T 142.42 5.50 14.83 21.52 107.69 -125.60 -81.86 114.78 63.18 3.46 33.36 19.30 10.04 33.18 27.79 6.23 0.11 2.14 1.21 103 G C T 45.47 4.47 14.47 19.98 105.69 12.03 78.32 -13.07 68.45 1.18 30.37 14.05 13.80 40.36 22.91 7.63 0.05 0.62 0.59 104 K C H 122.44 5.67 13.38 20.21 101.30 47.38 -76.32 -20.35 52.83 2.01 45.16 20.23 14.34 18.80 32.25 12.35 0.09 1.12 0.81 105 K H H 124.67 5.07 14.42 20.61 100.52 68.51 -77.13 -18.49 44.57 4.54 50.89 19.46 10.09 15.71 34.95 15.30 0.16 3.13 1.21 106 A H H 44.34 10.43 11.81 23.21 104.35 89.74 -80.75 40.43 45.00 6.00 49.00 24.29 9.10 11.95 34.37 14.43 0.09 4.54 1.23 107 K C H 115.37 5.76 15.28 22.18 109.76 -147.39 -90.29 116.07 47.13 9.91 42.95 28.49 9.01 10.23 31.48 11.13 0.08 7.87 1.72 108 I C C 69.96 11.70 11.12 23.35 111.96 -147.34 -90.54 126.03 47.98 14.80 37.22 32.74 8.60 7.16 30.62 6.41 0.09 11.99 2.39 109 K C C 123.55 5.06 12.67 19.20 111.44 -161.82 -92.29 122.03 54.25 14.19 31.55 35.76 9.49 8.27 26.99 5.40 0.06 12.06 1.97 110 E C C 119.94 5.11 10.11 16.94 111.53 -137.87 -87.82 123.89 62.61 13.10 24.28 40.76 10.37 10.22 20.25 5.30 0.04 11.09 1.96 111 K C C 138.20 3.83 9.75 15.50 110.67 -143.46 -89.14 119.57 79.38 7.28 13.33 69.25 1.93 8.03 10.61 2.67 0.00 5.74 1.76 112 R C C 158.67 3.91 11.45 17.20 109.35 -146.57 -89.68 110.88 99.81 0.14 0.05 99.73 0.08 0.07 0.03 0.00 0.00 0.08 0.01