# 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 36.11 20.41 14.14 33.49 121.38 -163.25 -102.21 137.89 99.87 0.13 0.00 99.87 0.04 0.01 0.00 0.00 0.00 0.08 0.00 1 K E E 116.06 4.50 22.63 27.43 116.45 -145.52 -95.31 132.29 32.49 67.48 0.03 32.77 0.27 0.07 0.01 0.01 0.00 65.55 1.32 2 I E E 31.81 22.43 10.74 32.06 121.20 -159.18 -109.62 131.46 12.23 87.76 0.01 11.58 0.41 0.03 0.00 0.01 0.00 87.85 0.12 3 E E E 97.70 4.20 23.00 27.43 121.66 -168.05 -121.35 132.41 1.46 98.53 0.01 1.39 0.05 0.01 0.00 0.00 0.00 98.50 0.04 4 V E E 56.85 15.51 13.13 28.66 110.60 -130.56 -82.77 120.98 0.79 99.20 0.00 0.79 0.01 0.00 0.00 0.00 0.00 99.17 0.02 5 I E E 80.11 6.68 17.01 25.22 101.29 176.39 -93.44 -35.29 2.27 97.71 0.02 1.72 0.31 0.03 0.00 0.01 0.00 97.91 0.03 6 K E E 104.11 4.23 19.49 24.73 135.51 0.32 -150.23 145.55 2.58 97.40 0.02 1.99 0.40 0.05 0.00 0.01 0.00 97.50 0.05 7 K E E 105.46 13.26 11.38 24.78 123.40 -170.78 -132.96 126.81 17.99 81.92 0.09 15.31 2.08 0.27 0.02 0.07 0.00 81.97 0.29 8 E C C 92.27 2.96 17.17 20.65 131.13 165.50 -129.94 171.42 66.24 33.58 0.17 53.73 10.29 1.22 0.04 0.16 0.00 33.67 0.88 9 E C S 149.05 2.22 15.74 18.87 93.58 -84.89 -61.60 -34.98 99.12 0.57 0.31 2.87 54.74 41.63 0.02 0.26 0.00 0.41 0.08 10 N C S 72.15 11.65 14.55 26.48 102.74 17.08 -112.57 6.94 98.78 0.97 0.25 2.95 52.06 43.88 0.01 0.23 0.00 0.77 0.10 11 L E E 39.99 11.74 18.99 32.04 136.99 52.93 -142.24 153.12 20.50 79.46 0.04 16.32 3.54 0.22 0.01 0.03 0.00 79.18 0.69 12 L E E 7.23 21.85 17.12 39.63 127.98 -165.60 -126.41 141.03 2.01 97.99 0.00 1.82 0.06 0.00 0.00 0.00 0.00 98.09 0.03 13 E E E 42.18 10.61 25.63 37.36 117.56 -149.80 -109.20 127.33 0.42 99.58 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.00 14 F E E 6.81 24.36 18.46 43.18 123.10 -170.15 -119.18 135.05 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 15 Y E E 58.93 10.29 26.11 37.26 118.38 -158.79 -111.75 126.47 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 16 L E E 7.44 23.38 16.05 39.90 118.12 -165.06 -110.94 126.76 1.06 98.94 0.00 1.00 0.02 0.00 0.00 0.00 0.00 98.95 0.03 17 E E E 96.88 6.92 21.37 28.82 118.52 -156.75 -98.00 136.09 31.30 68.49 0.21 9.96 9.66 12.37 0.02 0.19 0.00 67.50 0.30 18 G C S 50.23 3.22 20.67 24.10 97.60 17.49 81.37 3.73 92.97 6.81 0.23 9.91 55.31 27.36 0.02 0.23 0.00 6.84 0.33 19 E C C 56.81 17.98 10.87 27.52 116.94 124.27 -97.11 137.15 96.18 2.38 1.44 85.86 8.10 2.39 0.63 0.68 0.00 1.51 0.83 20 D C C 84.95 4.80 19.30 24.67 117.93 -157.46 -101.32 165.80 90.06 0.96 8.98 67.89 15.45 6.08 8.24 1.21 0.00 0.29 0.84 21 H H H 112.72 9.23 15.95 25.67 95.27 -91.56 -67.01 -28.79 44.04 0.36 55.60 9.10 16.25 18.30 54.17 1.78 0.05 0.11 0.24 22 T H H 73.39 4.65 20.98 25.67 93.32 57.47 -65.50 -41.45 17.82 0.14 82.05 3.53 4.17 10.79 79.93 1.39 0.06 0.05 0.09 23 F H H 32.09 18.58 19.14 36.95 92.55 50.23 -65.64 -42.33 4.14 0.03 95.83 0.95 0.66 2.44 95.12 0.81 0.01 0.01 0.01 24 A H H 6.18 22.32 17.79 40.00 91.47 51.41 -63.45 -41.73 1.52 0.01 98.47 0.39 0.17 0.78 98.24 0.42 0.00 0.00 0.00 25 N H H 75.36 5.53 25.04 30.86 91.52 51.66 -64.16 -40.47 0.68 0.00 99.32 0.14 0.06 0.36 99.25 0.19 0.00 0.00 0.00 26 L H H 42.82 10.19 23.70 34.67 91.47 50.69 -63.95 -42.49 0.35 0.00 99.65 0.05 0.02 0.20 99.65 0.08 0.00 0.00 0.00 27 L H H 2.52 26.34 20.07 46.54 91.56 49.63 -64.09 -42.95 0.18 0.00 99.82 0.02 0.01 0.09 99.84 0.04 0.00 0.00 0.00 28 V H H 31.93 17.66 21.90 38.56 91.31 51.01 -62.37 -42.92 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 29 E H H 101.14 3.18 26.06 28.57 91.77 49.95 -64.11 -42.16 0.14 0.00 99.86 0.01 0.00 0.09 99.84 0.06 0.00 0.00 0.00 30 T H H 25.27 12.94 21.23 34.85 92.11 48.89 -65.00 -42.64 0.37 0.00 99.63 0.01 0.01 0.28 99.50 0.19 0.00 0.00 0.00 31 L H H 2.88 26.27 14.89 41.68 91.22 50.20 -64.61 -40.22 1.43 0.00 98.56 0.04 0.05 1.32 97.76 0.83 0.00 0.00 0.00 32 R H H 111.78 10.66 18.79 29.60 91.47 54.49 -68.02 -26.78 22.64 0.01 77.35 0.34 0.42 22.54 75.58 1.10 0.00 0.00 0.01 33 E C T 138.31 1.97 20.89 22.24 93.11 55.47 -82.89 -10.77 67.38 0.04 32.58 1.08 1.84 63.65 32.13 1.25 0.00 0.01 0.03 34 N C C 25.73 19.24 9.04 27.62 110.08 98.50 -82.73 119.07 99.61 0.26 0.13 72.53 26.68 0.37 0.06 0.05 0.00 0.07 0.24 35 P C T 114.62 1.59 19.48 21.00 91.91 -152.21 -68.42 -18.30 99.66 0.03 0.31 0.27 3.35 96.11 0.01 0.24 0.00 0.01 0.01 36 H C T 71.85 12.28 16.14 29.04 93.31 60.72 -85.64 -8.79 99.84 0.04 0.12 0.44 2.73 96.67 0.00 0.11 0.00 0.03 0.00 37 V E E 7.95 24.76 10.23 34.80 114.46 91.93 -91.55 124.21 15.15 84.85 0.01 14.05 0.85 0.02 0.00 0.01 0.00 84.27 0.79 38 K E E 109.85 4.87 23.21 28.75 99.22 177.64 -92.25 -32.99 19.06 80.93 0.00 13.51 4.13 0.06 0.00 0.00 0.00 82.21 0.08 39 F E E 77.60 8.97 24.06 33.58 140.25 4.52 -154.43 149.68 0.70 99.30 0.00 0.56 0.05 0.00 0.00 0.00 0.00 99.38 0.01 40 T E E 16.54 23.35 15.57 38.33 131.08 -172.12 -136.66 143.26 0.36 99.64 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.65 0.01 41 A E E 32.31 11.35 24.03 35.65 138.93 174.98 -145.07 159.44 0.71 99.29 0.00 0.61 0.04 0.00 0.00 0.00 0.00 99.34 0.01 42 Y E E 45.83 19.34 16.93 35.67 133.64 -162.25 -138.03 150.59 2.57 97.42 0.01 2.34 0.12 0.01 0.00 0.00 0.00 97.47 0.07 43 T E E 65.28 8.31 20.80 29.76 120.51 -145.95 -112.25 130.25 14.16 85.78 0.06 12.64 1.21 0.12 0.02 0.03 0.00 85.46 0.51 44 I E E 47.31 15.11 13.55 29.05 120.85 -169.44 -116.10 130.89 47.38 52.29 0.32 42.16 3.79 0.46 0.10 0.21 0.00 51.97 1.32 45 E C C 113.44 4.22 16.56 21.81 114.78 -130.10 -85.54 138.50 74.50 24.55 0.95 58.54 12.95 2.24 0.25 0.75 0.00 23.66 1.61 46 H C C 84.00 9.85 9.76 20.59 115.83 -129.46 -93.81 132.06 85.76 7.96 6.27 52.87 21.44 11.83 1.29 5.13 0.00 5.37 2.05 47 P C T 92.90 3.72 11.96 16.90 98.28 -85.77 -70.55 -10.24 86.60 1.73 11.68 31.24 18.90 36.94 2.31 8.93 0.00 0.97 0.71 48 I C C 112.07 3.74 10.16 15.31 101.82 66.24 -87.56 -8.20 83.05 2.52 14.43 32.83 19.19 31.97 3.39 10.07 0.01 1.21 1.34 49 T C C 80.06 5.35 9.97 16.85 110.66 44.81 -99.09 94.01 90.01 2.03 7.97 50.67 18.65 21.04 2.43 5.17 0.00 1.05 0.99 50 M C C 135.08 2.96 12.30 16.41 101.37 -125.51 -76.87 20.35 93.52 2.43 4.05 62.38 14.28 16.93 0.96 3.10 0.00 1.49 0.85 51 A C C 48.87 8.87 11.15 21.38 117.37 121.47 -91.58 135.71 89.88 6.16 3.96 67.50 13.82 8.33 0.87 3.36 0.00 4.37 1.75 52 R C C 136.06 6.60 15.38 23.11 107.50 -146.84 -88.02 72.52 88.64 9.15 2.21 57.46 24.34 6.97 0.40 1.99 0.00 7.16 1.68 53 K C C 97.89 8.82 18.79 28.14 116.11 31.82 -116.10 119.47 83.06 16.43 0.51 58.04 22.94 1.97 0.08 0.47 0.00 15.41 1.09 54 P C C 13.12 21.17 14.69 35.83 117.05 -133.91 -74.11 146.30 74.27 25.68 0.05 72.01 1.54 0.12 0.01 0.03 0.00 25.85 0.44 55 R E E 77.12 10.39 24.78 35.60 120.03 -151.51 -111.11 130.15 4.50 95.49 0.01 4.12 0.27 0.01 0.00 0.00 0.00 95.25 0.35 56 F E E 9.12 24.36 17.95 42.56 121.59 -163.81 -115.15 130.33 0.49 99.51 0.00 0.44 0.02 0.00 0.00 0.00 0.00 99.53 0.01 57 R E E 61.94 10.95 26.68 38.26 119.05 -163.07 -112.34 126.04 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 58 V E E 3.73 25.37 18.66 44.83 119.73 -166.07 -112.71 127.23 0.20 99.80 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 59 V E E 39.62 10.00 26.47 37.37 120.54 -164.96 -114.39 130.82 0.83 99.17 0.00 0.79 0.01 0.00 0.00 0.00 0.00 99.17 0.03 60 T E E 11.87 21.68 13.42 34.88 131.40 -171.92 -128.96 151.31 19.84 80.15 0.02 19.16 0.49 0.03 0.01 0.01 0.00 79.83 0.48 61 D C C 89.04 4.83 19.89 25.15 105.14 -140.90 -96.53 54.71 82.14 17.69 0.16 63.44 16.54 1.57 0.03 0.17 0.00 16.88 1.37 62 G C S 48.51 4.82 15.32 21.20 104.20 -72.63 74.01 -43.90 98.73 0.79 0.48 2.83 53.60 42.52 0.03 0.40 0.00 0.48 0.16 63 E C S 162.62 0.85 17.17 16.37 97.69 31.02 -88.96 -12.66 99.20 0.41 0.39 6.81 49.12 43.30 0.03 0.38 0.00 0.25 0.10 64 I C S 54.38 11.48 11.68 24.50 123.47 69.68 -109.63 144.28 97.76 2.06 0.18 25.38 71.98 0.69 0.06 0.07 0.00 0.66 1.16 65 T C C 64.47 5.09 22.73 27.67 116.89 -121.51 -80.57 144.95 99.79 0.14 0.06 98.79 1.02 0.05 0.05 0.01 0.00 0.05 0.06 66 P H H 11.97 23.64 13.62 37.39 91.13 -121.93 -58.67 -37.78 3.00 0.01 96.99 0.71 0.34 1.72 96.45 0.78 0.00 0.00 0.00 67 E H H 83.75 11.93 21.65 33.16 91.57 54.37 -62.69 -41.24 0.92 0.00 99.07 0.13 0.06 0.59 98.64 0.58 0.00 0.00 0.00 68 E H H 101.45 2.83 26.11 27.96 91.49 48.64 -65.01 -41.05 0.22 0.00 99.78 0.04 0.01 0.13 99.41 0.41 0.00 0.00 0.00 69 A H H 5.83 18.31 19.21 38.47 91.27 50.35 -63.24 -43.64 0.11 0.00 99.89 0.02 0.01 0.06 99.84 0.09 0.00 0.00 0.00 70 L H H 5.41 24.88 19.85 44.39 91.62 49.46 -63.91 -42.80 0.08 0.00 99.92 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 71 E H H 85.10 8.14 24.83 33.22 91.50 50.31 -63.02 -42.64 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 72 E H H 94.26 3.55 26.76 29.89 91.50 48.87 -64.35 -41.99 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 73 A H H 5.17 19.11 20.12 39.99 91.46 50.24 -63.34 -43.41 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 74 A H H 9.82 20.28 20.21 40.16 91.58 50.50 -63.23 -42.15 0.15 0.00 99.85 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 75 K H H 115.51 3.01 25.33 27.90 91.33 50.71 -64.02 -41.94 0.19 0.00 99.81 0.01 0.01 0.13 99.83 0.02 0.00 0.00 0.00 76 K H H 92.62 5.28 23.52 28.91 91.73 49.13 -64.84 -41.29 0.22 0.00 99.78 0.02 0.01 0.14 99.81 0.02 0.00 0.00 0.00 77 I H H 10.52 21.05 17.66 38.73 91.92 49.33 -64.34 -42.99 0.13 0.00 99.87 0.01 0.01 0.08 99.88 0.02 0.00 0.00 0.00 78 F H H 74.49 12.20 19.94 32.15 91.56 51.02 -62.72 -41.93 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 79 E H H 109.42 1.80 23.35 23.06 91.59 49.75 -64.09 -41.83 0.17 0.00 99.83 0.02 0.01 0.11 99.85 0.03 0.00 0.00 0.00 80 R H H 95.47 7.50 20.49 28.56 91.89 48.75 -65.43 -40.62 0.24 0.00 99.76 0.02 0.01 0.16 99.77 0.04 0.00 0.00 0.00 81 A H H 13.80 17.95 15.17 33.48 91.99 51.27 -64.36 -41.31 0.39 0.00 99.61 0.04 0.02 0.23 99.65 0.05 0.00 0.00 0.00 82 K H H 112.77 3.73 20.45 24.48 91.50 51.20 -63.75 -40.46 0.56 0.00 99.44 0.07 0.03 0.34 99.50 0.06 0.00 0.00 0.00 83 E H H 104.73 2.15 20.72 21.63 91.87 50.20 -64.58 -41.53 0.55 0.00 99.45 0.07 0.03 0.33 99.49 0.08 0.00 0.00 0.00 84 V H H 40.10 10.77 16.99 28.87 92.17 49.55 -64.90 -42.34 0.47 0.00 99.53 0.08 0.03 0.27 99.54 0.09 0.00 0.00 0.00 85 L H H 60.25 9.46 16.57 27.09 91.71 50.81 -63.43 -41.23 0.42 0.00 99.58 0.07 0.03 0.24 99.57 0.09 0.00 0.00 0.00 86 E H H 108.77 1.84 19.51 20.09 91.77 50.45 -64.01 -40.81 0.53 0.00 99.47 0.08 0.03 0.31 99.47 0.11 0.00 0.00 0.00 87 A H H 50.60 3.66 16.94 21.38 91.90 50.40 -64.69 -41.23 0.81 0.00 99.19 0.11 0.05 0.50 99.18 0.16 0.00 0.00 0.00 88 W H H 86.80 9.36 13.89 24.41 92.59 49.53 -65.61 -40.78 1.16 0.00 98.83 0.24 0.10 0.67 98.71 0.27 0.00 0.00 0.00 89 E H H 103.71 3.87 14.98 19.90 91.93 51.74 -64.44 -39.87 2.18 0.01 97.81 0.50 0.19 1.27 97.58 0.46 0.00 0.01 0.00 90 K H H 133.85 1.30 15.31 15.77 92.38 50.89 -66.49 -38.23 5.83 0.02 94.14 0.88 0.50 4.11 93.56 0.91 0.00 0.01 0.01 91 A H H 57.49 4.08 12.12 17.65 93.29 51.49 -68.11 -35.86 12.24 0.05 87.71 1.91 1.29 8.60 86.98 1.16 0.01 0.02 0.03 92 V H H 87.21 5.00 9.98 16.35 97.10 50.22 -77.67 -26.05 31.61 0.45 67.93 7.99 5.15 18.98 65.94 1.48 0.04 0.16 0.27 93 K C H 149.06 1.79 9.74 12.71 100.00 61.23 -82.24 -5.75 63.33 0.64 36.02 37.96 1.76 20.42 38.08 1.18 0.00 0.23 0.38 94 S C C 83.56 2.52 11.17 15.08 106.25 88.44 -80.51 55.92 99.96 0.01 0.03 99.81 0.07 0.09 0.02 0.00 0.00 0.01 0.00