# 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 116.26 5.01 14.41 20.78 115.98 -162.24 -97.82 132.27 99.90 0.10 0.00 99.89 0.04 0.01 0.00 0.00 0.00 0.05 0.00 1 A C C 59.32 9.22 11.24 21.46 117.37 -142.77 -90.58 137.04 89.27 10.56 0.17 88.88 0.35 0.57 0.04 0.07 0.00 9.53 0.57 2 R C C 113.57 8.61 14.75 24.46 118.91 -154.11 -101.43 136.29 58.05 41.71 0.24 49.75 6.10 0.85 0.05 0.21 0.00 41.95 1.08 3 K E E 98.56 9.62 18.40 28.51 120.50 -140.71 -103.51 135.76 30.03 69.84 0.13 26.53 2.31 0.27 0.02 0.10 0.00 70.09 0.68 4 Y E E 27.38 19.26 16.14 35.37 129.82 -171.81 -126.23 148.78 13.06 86.90 0.05 12.17 0.57 0.06 0.01 0.02 0.00 86.85 0.32 5 E E E 47.20 12.87 23.68 36.92 121.62 -143.21 -110.29 136.98 6.50 93.48 0.02 5.86 0.38 0.03 0.00 0.01 0.00 93.65 0.08 6 I E E 10.54 22.51 20.58 42.94 123.43 -161.91 -117.13 133.40 3.58 96.42 0.01 3.41 0.10 0.01 0.00 0.00 0.00 96.43 0.04 7 M E E 22.74 17.77 25.09 42.51 123.45 -163.76 -116.12 133.47 2.17 97.83 0.00 2.02 0.07 0.00 0.00 0.00 0.00 97.88 0.02 8 Y E E 11.11 23.27 24.10 46.62 124.92 -166.54 -119.53 134.78 0.81 99.19 0.00 0.75 0.03 0.00 0.00 0.00 0.00 99.21 0.01 9 I E E 14.52 19.80 26.78 46.06 116.57 -157.86 -105.12 123.89 0.55 99.45 0.00 0.51 0.01 0.00 0.00 0.00 0.00 99.46 0.02 10 I E E 7.10 23.41 20.59 43.88 127.51 -174.43 -120.23 144.63 2.67 97.33 0.00 2.65 0.06 0.00 0.00 0.00 0.00 96.88 0.41 11 R C C 61.70 12.50 21.63 34.54 111.51 -110.23 -73.59 133.10 87.34 12.65 0.01 87.77 0.45 0.02 0.00 0.00 0.00 11.52 0.25 12 P C T 52.46 13.58 15.70 29.81 92.70 -124.20 -62.90 -25.42 98.37 1.05 0.58 2.33 8.25 87.78 0.02 0.61 0.00 0.89 0.12 13 N C T 120.90 1.72 20.17 21.29 93.76 59.74 -86.40 2.06 99.24 0.27 0.49 2.94 8.24 88.04 0.03 0.51 0.00 0.19 0.05 14 I C C 30.15 17.99 7.88 25.00 117.85 114.19 -78.12 141.28 98.61 1.01 0.38 65.15 33.06 0.34 0.16 0.17 0.00 0.27 0.84 15 E C C 119.52 1.70 18.11 18.57 115.98 -106.55 -70.19 150.82 99.72 0.09 0.19 99.42 0.32 0.07 0.11 0.01 0.00 0.02 0.05 16 E H H 128.64 4.74 11.80 18.71 91.87 -110.43 -57.16 -39.91 2.20 0.00 97.79 0.37 0.27 1.32 97.14 0.90 0.00 0.00 0.00 17 D H H 113.41 0.86 16.48 15.61 92.18 52.00 -64.65 -38.84 1.33 0.00 98.67 0.15 0.10 0.92 97.68 1.13 0.00 0.00 0.00 18 E H H 82.71 6.42 15.67 23.40 92.31 48.64 -66.60 -39.62 0.60 0.00 99.40 0.12 0.05 0.33 98.61 0.88 0.00 0.00 0.00 19 K H H 45.60 17.25 13.29 30.13 91.52 52.28 -62.90 -42.49 0.39 0.00 99.61 0.09 0.03 0.19 99.51 0.19 0.00 0.00 0.00 20 K H H 115.97 3.77 20.73 24.88 91.52 50.77 -63.72 -41.18 0.44 0.00 99.56 0.07 0.02 0.23 99.61 0.07 0.00 0.00 0.00 21 A H H 47.77 3.01 21.81 24.34 91.38 50.51 -63.45 -41.92 0.56 0.00 99.44 0.07 0.02 0.36 99.48 0.07 0.00 0.00 0.00 22 V H H 14.59 17.77 18.56 36.65 91.76 49.59 -64.02 -43.19 0.40 0.00 99.60 0.06 0.02 0.24 99.65 0.04 0.00 0.00 0.00 23 V H H 20.57 18.78 18.90 37.38 91.39 50.19 -62.73 -43.07 0.14 0.00 99.86 0.02 0.01 0.08 99.88 0.02 0.00 0.00 0.00 24 E H H 116.53 2.34 24.29 25.72 91.35 50.58 -63.72 -41.52 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 25 R H H 108.54 6.55 22.94 29.79 91.79 49.60 -64.70 -41.58 0.14 0.00 99.85 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 26 F H H 6.82 24.63 17.78 42.31 91.70 48.95 -65.01 -42.70 0.20 0.00 99.80 0.01 0.01 0.14 99.81 0.02 0.00 0.00 0.00 27 D H H 52.67 14.06 20.68 34.16 91.31 52.15 -62.47 -40.43 0.34 0.00 99.66 0.03 0.01 0.22 99.72 0.03 0.00 0.00 0.00 28 G H H 34.53 2.59 23.97 25.38 91.61 51.19 -63.83 -41.94 1.31 0.00 98.69 0.08 0.05 0.97 98.83 0.07 0.00 0.00 0.00 29 I H H 27.30 13.18 20.01 34.08 92.06 49.86 -64.55 -43.25 1.10 0.00 98.90 0.07 0.07 0.80 98.94 0.11 0.00 0.00 0.00 30 L H H 5.65 24.51 13.84 38.46 91.85 49.92 -64.01 -42.69 1.44 0.02 98.53 0.30 0.16 0.88 98.21 0.43 0.00 0.01 0.01 31 T H H 84.67 5.35 19.03 25.44 92.34 49.47 -64.92 -40.33 2.01 0.02 97.97 0.34 0.12 1.45 96.99 1.09 0.00 0.01 0.00 32 E H H 145.91 1.38 19.67 20.15 91.08 53.33 -66.21 -28.21 9.45 0.02 90.53 0.22 0.31 9.50 89.02 0.90 0.02 0.01 0.01 33 N C T 54.37 13.23 14.53 28.30 95.04 49.80 -93.30 4.89 83.10 0.03 16.86 0.29 1.16 81.62 16.10 0.79 0.00 0.01 0.03 34 G C T 44.79 3.48 22.69 26.29 97.94 -100.49 88.79 10.99 99.91 0.02 0.08 0.90 1.00 98.05 0.02 0.01 0.00 0.01 0.00 35 A C C 8.19 23.94 9.52 32.64 120.47 143.03 -81.67 150.64 89.64 10.34 0.01 88.72 0.78 0.04 0.00 0.01 0.00 10.31 0.14 36 E E E 108.45 3.29 25.32 28.31 117.56 -138.18 -105.34 133.28 8.75 91.23 0.02 8.45 0.29 0.02 0.00 0.01 0.00 91.08 0.15 37 I E E 56.46 19.21 12.94 31.36 110.31 -126.53 -81.36 121.59 0.74 99.25 0.00 0.77 0.01 0.00 0.00 0.00 0.00 99.19 0.03 38 I E E 84.07 6.06 18.46 25.77 101.33 175.30 -95.59 -33.52 1.40 98.59 0.00 1.02 0.18 0.01 0.00 0.00 0.00 98.78 0.01 39 E E E 93.05 4.45 21.67 26.97 138.33 -1.04 -154.44 151.10 0.88 99.11 0.00 0.62 0.10 0.01 0.00 0.00 0.00 99.26 0.01 40 S E E 43.74 19.44 11.41 29.24 130.13 -170.41 -139.67 140.29 2.01 97.98 0.01 1.70 0.11 0.01 0.00 0.01 0.00 98.15 0.02 41 K E E 104.36 4.89 20.20 26.20 126.69 -176.23 -133.38 142.34 4.29 95.69 0.02 3.28 0.62 0.05 0.00 0.01 0.00 96.00 0.04 42 E E E 117.89 7.10 15.62 24.33 111.95 -119.16 -82.78 124.20 8.08 91.89 0.03 7.12 0.45 0.04 0.00 0.01 0.00 92.28 0.08 43 W E E 95.14 12.57 12.70 25.78 101.87 175.56 -101.73 -1.09 18.03 81.63 0.34 15.71 1.22 0.37 0.12 0.15 0.00 82.22 0.22 44 G E E 31.37 3.86 18.70 23.27 130.75 -114.85 103.41 -172.03 12.62 87.07 0.31 7.65 4.30 0.93 0.09 0.19 0.00 86.64 0.21 45 K E E 131.44 6.35 14.72 22.89 117.77 -46.56 -92.78 136.10 7.24 92.28 0.47 5.94 0.95 0.25 0.23 0.17 0.00 92.30 0.16 46 R E E 95.38 9.97 13.47 24.84 128.42 -176.45 -130.08 143.92 3.93 95.61 0.46 3.42 0.34 0.15 0.26 0.13 0.00 95.53 0.16 47 R E E 159.74 2.98 17.14 21.34 114.00 -120.25 -84.00 130.76 5.91 93.70 0.39 5.48 0.34 0.12 0.26 0.10 0.00 93.36 0.32 48 L E E 42.59 17.08 8.34 24.46 113.71 -124.71 -79.15 136.00 45.52 53.78 0.70 43.09 1.21 0.28 0.34 0.21 0.00 54.28 0.58 49 A C S 78.57 2.70 15.66 19.11 96.22 -148.76 -79.17 -21.53 67.14 32.58 0.28 24.76 39.14 2.94 0.04 0.25 0.00 32.44 0.44 50 Y C S 118.11 3.95 15.28 20.39 133.77 28.20 -139.50 158.95 57.41 42.37 0.22 10.09 45.11 2.49 0.02 0.18 0.00 41.57 0.52 51 E C C 128.41 4.19 13.83 19.73 114.54 -103.68 -82.03 135.34 51.83 47.79 0.38 48.22 2.65 0.49 0.11 0.26 0.00 46.52 1.76 52 I E C 50.00 13.79 8.39 22.16 119.25 -174.44 -125.06 122.33 47.63 51.71 0.66 42.92 2.99 0.83 0.29 0.44 0.00 36.34 16.18 53 N C T 127.42 1.78 14.03 16.16 98.94 -29.29 53.34 28.60 95.43 2.67 1.90 5.98 24.45 64.98 0.13 1.94 0.00 2.11 0.42 54 D C T 124.49 1.61 14.10 16.11 95.63 -40.39 56.66 12.34 95.31 2.86 1.83 5.51 24.85 64.74 0.09 2.04 0.00 2.47 0.30 55 Y E E 75.33 11.99 11.04 23.96 121.15 102.10 -112.03 136.42 30.65 68.78 0.58 23.95 5.48 1.49 0.12 0.50 0.00 64.83 3.62 56 R E E 112.67 8.40 17.04 26.40 103.45 -166.89 -103.87 -6.74 23.32 76.60 0.07 18.33 4.11 0.56 0.01 0.06 0.00 76.40 0.53 57 D E E 59.49 9.11 21.35 30.91 128.63 22.31 -124.71 146.26 14.40 85.55 0.04 10.23 3.73 0.38 0.01 0.04 0.00 85.46 0.17 58 G E E 6.48 18.02 18.01 36.25 141.39 153.62 -161.91 169.98 6.19 93.80 0.01 4.90 0.92 0.05 0.00 0.01 0.00 94.07 0.06 59 F E E 37.34 13.62 23.07 37.59 126.24 -99.73 -122.99 142.49 0.96 99.04 0.00 0.86 0.04 0.00 0.00 0.00 0.00 99.08 0.02 60 Y E E 30.62 18.86 20.63 39.18 121.07 -152.70 -109.74 133.48 0.31 99.69 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 61 H E E 21.04 17.66 21.68 39.62 123.73 -168.51 -120.87 135.09 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 62 I E E 29.35 15.14 23.48 39.01 118.07 -159.30 -111.11 125.98 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 63 V E E 9.54 21.27 20.39 41.76 121.70 -168.72 -116.21 130.77 0.24 99.76 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 64 K E E 69.06 11.24 25.88 37.24 116.38 -155.72 -104.56 125.21 0.33 99.67 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.00 65 L E E 7.86 23.78 17.47 41.32 126.84 -175.51 -122.45 143.02 0.60 99.40 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.43 0.01 66 N E E 63.36 8.95 25.44 34.70 124.09 -163.56 -119.76 136.00 2.67 97.33 0.00 2.37 0.17 0.01 0.00 0.00 0.00 97.33 0.12 67 A E E 11.12 20.89 12.97 33.58 133.03 174.09 -137.38 154.76 42.51 57.29 0.19 38.80 2.37 0.34 0.05 0.13 0.00 57.54 0.77 68 D C S 109.80 2.64 19.71 22.72 96.68 -136.45 -79.28 -19.68 95.48 3.83 0.68 34.95 55.32 5.31 0.17 0.43 0.00 3.48 0.33 69 K C C 100.03 5.40 18.68 24.80 119.74 40.20 -117.90 132.30 93.91 1.14 4.95 51.98 34.23 8.02 3.09 1.58 0.00 0.54 0.55 70 A H H 54.54 11.62 13.81 25.97 94.06 -136.48 -63.29 -33.53 28.10 0.28 71.63 8.99 7.00 13.08 62.28 8.32 0.04 0.13 0.16 71 D H H 99.34 2.18 21.34 22.85 92.22 61.67 -65.89 -33.40 21.56 0.22 78.22 6.02 3.86 12.03 70.81 7.00 0.05 0.12 0.11 72 S H H 14.22 15.29 16.73 32.82 92.53 52.67 -66.94 -37.55 14.42 0.24 85.34 7.09 2.30 5.68 77.64 7.05 0.02 0.15 0.08 73 I H H 13.65 21.85 15.64 37.17 92.05 54.23 -63.48 -42.65 3.77 0.05 96.18 1.81 0.60 1.50 94.41 1.64 0.00 0.03 0.01 74 N H H 86.58 3.81 23.40 27.03 91.64 51.24 -63.80 -40.50 2.09 0.03 97.89 0.83 0.27 0.97 97.08 0.83 0.00 0.01 0.00 75 E H H 81.80 6.03 22.37 28.71 91.77 50.36 -64.60 -41.44 1.65 0.02 98.33 0.52 0.19 0.88 97.73 0.66 0.00 0.01 0.00 76 F H H 6.55 24.57 16.09 40.85 91.72 49.88 -64.71 -42.96 1.16 0.01 98.83 0.30 0.13 0.65 98.37 0.54 0.00 0.01 0.00 77 D H H 52.10 14.69 19.13 33.18 91.49 52.45 -62.59 -40.88 1.83 0.02 98.16 0.41 0.16 1.10 97.52 0.79 0.00 0.01 0.00 78 R H H 153.82 1.77 22.78 23.37 91.96 50.58 -65.46 -39.58 3.83 0.03 96.14 0.45 0.27 2.93 94.88 1.44 0.01 0.02 0.01 79 L H H 50.02 13.18 18.60 31.96 92.59 50.03 -69.22 -34.77 6.60 0.05 93.35 0.59 0.51 5.34 92.18 1.31 0.02 0.03 0.02 80 A H H 10.38 22.86 13.34 35.52 96.65 60.17 -77.87 -15.06 35.24 1.41 63.35 5.64 4.18 25.51 60.56 2.70 0.12 0.78 0.51 81 K C T 132.35 4.65 22.40 27.66 98.94 -136.93 -31.62 54.49 75.27 3.44 21.30 19.88 4.86 49.17 19.59 3.30 0.01 2.25 0.94 82 I C C 58.99 16.21 12.75 28.38 113.38 116.13 -93.33 126.12 82.94 8.34 8.72 60.34 14.77 6.85 7.72 1.99 0.01 4.44 3.88 83 S C C 49.27 7.60 15.82 24.55 128.77 154.60 -121.30 165.55 89.23 6.45 4.32 77.76 6.83 4.53 2.16 2.15 0.00 4.06 2.51 84 D C T 116.68 2.83 16.96 20.81 94.15 -104.19 -69.09 -17.06 91.89 2.87 5.24 7.39 25.51 59.79 0.92 3.84 0.00 1.99 0.55 85 D C T 70.29 10.16 16.70 27.26 97.07 60.92 -88.08 -4.74 89.94 5.77 4.29 11.02 18.25 60.84 0.52 3.69 0.00 5.16 0.51 86 I E E 23.61 20.79 13.45 33.98 114.49 97.02 -94.31 122.86 25.86 73.34 0.80 21.06 4.55 1.08 0.34 0.48 0.00 69.55 2.94 87 V E E 50.83 11.92 20.75 32.95 101.53 176.25 -92.27 -32.80 19.51 80.33 0.16 16.78 2.05 0.26 0.07 0.07 0.00 80.37 0.41 88 R E E 81.52 10.46 22.99 33.71 137.89 -0.32 -148.12 146.84 11.30 88.54 0.16 10.20 0.72 0.17 0.05 0.07 0.00 88.57 0.22 89 H E E 46.57 21.11 16.01 35.95 128.59 -168.93 -132.44 137.33 10.44 89.43 0.13 9.95 0.42 0.08 0.05 0.04 0.00 89.30 0.17 90 M E E 62.65 10.17 23.08 33.86 124.32 -171.39 -123.95 135.00 8.01 91.92 0.07 7.47 0.32 0.05 0.03 0.02 0.00 92.01 0.10 91 V E E 41.13 17.39 16.89 34.05 119.49 -157.39 -109.95 128.20 4.83 95.14 0.03 4.87 0.11 0.02 0.01 0.01 0.00 94.87 0.11 92 I E E 56.06 10.43 19.05 30.65 122.95 -169.92 -117.90 135.21 6.71 93.26 0.03 6.65 0.16 0.03 0.01 0.01 0.00 92.95 0.19 93 K E E 102.07 10.07 15.53 26.40 118.33 -145.54 -99.57 132.67 16.34 83.52 0.14 14.63 1.21 0.22 0.05 0.08 0.00 83.36 0.45 94 E C C 92.47 9.13 11.59 21.91 114.70 -145.07 -92.49 134.87 61.80 37.35 0.85 51.37 6.57 1.93 0.20 0.62 0.00 38.46 0.85 95 E C C 141.93 2.38 12.08 15.99 113.02 -119.11 -85.79 134.66 86.97 12.37 0.65 83.83 1.17 1.94 0.14 0.38 0.00 11.81 0.74 96 A C C 74.78 5.13 11.53 18.33 110.76 -105.46 -76.41 133.95 99.89 0.09 0.01 99.82 0.08 0.04 0.00 0.00 0.00 0.06 0.00