# 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 77.30 9.58 11.58 22.06 114.59 -143.01 -87.25 136.84 99.89 0.06 0.04 99.80 0.09 0.05 0.03 0.00 0.00 0.02 0.01 1 A C C 63.90 3.14 11.81 16.07 108.71 -116.71 -73.22 161.44 67.66 0.66 31.68 60.95 1.28 5.34 30.04 1.77 0.00 0.28 0.33 2 E H H 132.41 2.15 10.27 13.57 94.42 -11.10 -64.99 -37.05 24.90 0.40 74.70 12.41 5.10 9.10 66.85 6.15 0.02 0.19 0.18 3 Q H H 116.93 1.68 11.44 13.64 93.68 52.86 -66.92 -37.47 20.07 0.35 79.58 9.04 3.71 8.38 71.20 7.31 0.02 0.19 0.14 4 Q H H 98.14 2.92 11.87 15.97 93.54 52.15 -67.57 -37.84 18.74 0.40 80.87 10.97 3.01 5.91 73.20 6.53 0.01 0.23 0.14 5 F H H 103.62 4.07 11.91 17.52 93.06 52.47 -65.69 -40.24 12.30 0.30 87.40 8.27 2.12 3.08 83.34 2.93 0.00 0.16 0.09 6 E H H 116.31 1.86 14.33 16.28 92.19 51.16 -65.46 -40.27 10.71 0.27 89.01 6.73 1.57 3.16 86.06 2.24 0.00 0.16 0.08 7 D H H 82.47 2.84 14.51 17.98 92.73 49.99 -66.29 -38.30 12.92 0.29 86.79 7.77 1.80 4.12 83.82 2.24 0.00 0.16 0.09 8 M H H 81.53 6.16 13.50 21.16 92.81 52.05 -66.20 -39.72 10.08 0.19 89.73 5.87 1.58 3.19 87.37 1.83 0.00 0.10 0.06 9 E H H 102.99 3.23 15.73 19.68 92.34 52.41 -64.76 -40.32 7.88 0.15 91.97 4.15 1.10 2.88 89.80 1.93 0.00 0.09 0.04 10 A H H 55.82 3.41 15.91 20.13 92.39 51.12 -65.22 -39.49 9.28 0.18 90.54 4.13 1.20 4.11 87.69 2.70 0.01 0.11 0.06 11 F H H 88.09 8.06 14.69 23.94 92.86 50.84 -66.66 -38.70 10.62 0.25 89.13 4.63 1.55 4.79 85.18 3.61 0.01 0.16 0.08 12 L H H 75.61 7.82 14.57 23.62 93.10 53.16 -66.54 -37.14 14.67 0.51 84.82 7.42 2.26 5.76 80.43 3.63 0.02 0.31 0.16 13 R H H 136.01 3.71 16.93 21.29 93.81 54.86 -68.68 -34.16 21.53 0.89 77.57 10.23 3.33 9.07 72.64 3.87 0.03 0.55 0.28 14 V H H 71.94 7.30 15.57 23.93 96.91 52.44 -73.79 -29.26 29.44 1.15 69.41 13.08 5.02 12.71 63.92 4.16 0.05 0.65 0.41 15 A C H 42.69 12.64 13.27 26.11 100.53 65.52 -76.85 -9.37 53.27 1.29 45.44 21.61 7.83 24.22 40.46 4.62 0.05 0.69 0.53 16 K C T 127.13 5.57 18.19 24.38 99.05 71.61 -86.39 -6.77 70.02 1.82 28.16 24.57 13.95 31.97 21.95 5.82 0.04 0.99 0.71 17 Y C S 104.96 8.59 18.67 27.95 123.24 61.74 -115.92 139.34 89.36 5.08 5.56 37.52 46.73 5.70 3.73 1.82 0.01 3.21 1.27 18 T C C 35.57 18.70 14.83 32.72 114.09 -110.91 -75.57 137.17 81.53 16.47 2.00 74.58 4.22 1.56 0.88 0.80 0.00 17.13 0.84 19 L E E 67.43 9.82 21.52 31.87 118.20 -155.09 -106.91 128.78 24.95 74.01 1.04 21.84 2.52 0.54 0.75 0.42 0.00 70.58 3.35 20 V E E 43.37 18.13 14.25 32.00 110.95 -141.39 -88.69 119.69 13.20 86.38 0.43 12.73 0.45 0.13 0.27 0.13 0.00 84.56 1.73 21 K E E 106.48 6.41 19.15 26.55 100.81 175.78 -92.68 -33.25 17.23 82.25 0.51 12.43 4.49 1.05 0.14 0.28 0.00 81.16 0.44 22 F E E 104.05 6.02 20.03 27.16 134.80 3.85 -150.11 145.06 19.01 80.55 0.44 14.87 3.66 1.05 0.11 0.30 0.00 79.41 0.60 23 T E E 44.73 18.34 11.83 29.07 133.73 -177.35 -143.63 150.26 38.66 61.02 0.33 34.21 2.84 0.75 0.09 0.23 0.00 60.89 1.00 24 D C S 105.63 2.74 20.69 23.29 100.35 -153.30 -101.54 21.64 82.38 17.52 0.10 39.60 40.62 1.84 0.01 0.10 0.00 17.33 0.50 25 M C S 37.11 17.86 8.78 25.76 123.90 105.79 -89.23 154.23 95.31 4.62 0.06 35.96 59.84 0.42 0.02 0.04 0.00 3.13 0.60 26 H C C 109.47 2.47 18.62 20.44 115.96 -100.38 -67.25 152.85 99.34 0.57 0.09 99.03 0.48 0.05 0.04 0.01 0.00 0.27 0.11 27 V H H 98.96 5.45 12.88 20.16 91.63 -108.25 -57.10 -38.61 2.26 0.00 97.73 0.40 0.29 1.35 96.72 1.23 0.00 0.00 0.00 28 E H H 124.96 1.71 17.96 18.97 91.51 53.28 -63.97 -39.65 1.70 0.00 98.29 0.20 0.13 1.21 96.80 1.66 0.00 0.00 0.00 29 M H H 43.31 12.65 15.94 29.45 92.19 48.65 -66.67 -40.11 0.91 0.00 99.09 0.18 0.07 0.54 97.62 1.58 0.00 0.00 0.00 30 K H H 46.43 17.79 15.78 32.94 91.47 52.74 -62.03 -42.73 0.27 0.00 99.73 0.06 0.02 0.11 99.72 0.08 0.00 0.00 0.00 31 E H H 101.08 4.20 23.42 27.54 91.55 49.96 -63.99 -41.45 0.14 0.00 99.85 0.02 0.01 0.07 99.89 0.02 0.00 0.00 0.00 32 E H H 82.90 5.59 24.14 29.91 91.48 49.33 -64.29 -41.48 0.10 0.00 99.90 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 33 A H H 2.84 23.95 18.55 42.78 91.35 50.13 -63.69 -43.43 0.07 0.00 99.93 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 34 M H H 32.43 18.39 22.42 39.84 91.08 50.78 -62.34 -42.30 0.05 0.00 99.95 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 35 D H H 82.89 3.23 27.40 30.30 91.41 50.71 -63.87 -41.37 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 36 I H H 35.36 13.12 24.00 37.38 91.48 49.61 -64.32 -42.96 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 37 C H H 1.39 26.80 19.82 46.97 91.51 48.96 -64.00 -43.12 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 38 I H H 47.71 13.44 23.90 37.07 91.40 50.10 -63.32 -43.13 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 39 T H H 63.14 3.24 26.39 29.00 91.31 49.66 -63.36 -42.40 0.15 0.00 99.85 0.01 0.01 0.11 99.85 0.03 0.00 0.00 0.00 40 A H H 7.21 16.57 18.99 36.81 91.45 49.96 -63.39 -42.91 0.17 0.00 99.83 0.01 0.00 0.12 99.80 0.07 0.00 0.00 0.00 41 V H H 11.50 21.78 15.85 37.41 92.02 50.78 -64.08 -40.82 0.33 0.00 99.67 0.01 0.01 0.26 99.38 0.34 0.00 0.00 0.00 42 E H H 121.79 3.56 20.31 24.51 91.51 50.65 -65.33 -36.74 2.48 0.00 97.52 0.04 0.06 2.46 96.72 0.71 0.00 0.00 0.00 43 K H H 132.89 2.55 19.15 21.58 93.64 48.25 -74.09 -30.26 10.01 0.00 89.99 0.12 0.36 9.89 89.03 0.59 0.01 0.00 0.00 44 Y C C 58.60 13.31 11.64 25.68 107.15 32.33 -122.81 42.68 83.25 0.31 16.44 36.58 21.62 23.87 16.24 1.27 0.00 0.07 0.34 45 P C T 72.52 11.32 12.15 24.24 93.91 151.91 -61.02 -29.57 98.77 0.12 1.10 9.62 5.45 83.73 0.23 0.84 0.00 0.07 0.06 46 N C T 135.26 0.94 16.95 16.65 95.58 49.27 -86.67 -5.37 98.93 0.10 0.97 1.39 15.36 82.27 0.10 0.78 0.00 0.05 0.04 47 D C C 69.50 5.83 16.37 23.54 109.65 59.95 -119.75 88.70 99.37 0.22 0.41 95.11 3.73 0.59 0.14 0.20 0.00 0.07 0.17 48 A H H 33.59 18.30 12.26 30.01 93.88 174.89 -63.30 -36.32 6.32 0.02 93.66 1.88 0.88 3.45 92.44 1.32 0.00 0.01 0.01 49 E H H 118.75 4.28 20.79 26.10 91.62 55.52 -63.61 -40.50 3.86 0.00 96.13 0.36 0.30 2.97 95.20 1.17 0.00 0.00 0.00 50 K H H 98.98 3.68 23.94 27.08 91.81 48.03 -65.54 -40.64 2.13 0.01 97.86 0.37 0.17 1.42 96.70 1.32 0.00 0.00 0.00 51 C H H 5.18 20.47 17.59 38.79 91.39 51.18 -63.18 -43.98 0.56 0.00 99.44 0.17 0.04 0.26 99.34 0.18 0.00 0.00 0.00 52 T H H 10.92 19.96 20.20 40.06 91.08 50.42 -63.02 -42.44 0.30 0.00 99.70 0.05 0.01 0.18 99.65 0.10 0.00 0.00 0.00 53 Q H H 97.17 3.49 26.86 30.04 91.57 50.11 -63.82 -41.65 0.20 0.00 99.80 0.01 0.01 0.14 99.79 0.05 0.00 0.00 0.00 54 M H H 56.82 8.56 24.40 33.64 91.65 49.81 -64.38 -42.54 0.23 0.00 99.77 0.02 0.01 0.15 99.79 0.03 0.00 0.00 0.00 55 I H H 2.91 25.38 18.83 44.46 91.50 49.17 -63.87 -43.75 0.14 0.00 99.86 0.01 0.01 0.08 99.87 0.02 0.00 0.00 0.00 56 K H H 62.03 16.39 21.35 36.48 91.52 51.11 -62.03 -42.84 0.10 0.00 99.90 0.01 0.00 0.05 99.91 0.02 0.00 0.00 0.00 57 D H H 83.96 2.49 25.33 26.53 91.88 48.87 -64.81 -41.86 0.22 0.00 99.78 0.01 0.01 0.16 99.79 0.04 0.00 0.00 0.00 58 Q H H 55.61 8.22 21.71 30.79 92.07 48.18 -65.37 -42.17 0.69 0.00 99.31 0.03 0.03 0.55 99.32 0.07 0.00 0.00 0.00 59 M H H 7.13 22.10 13.96 36.39 91.95 49.61 -64.58 -42.62 1.32 0.00 98.68 0.14 0.12 0.90 98.63 0.20 0.00 0.00 0.00 60 D H H 57.56 10.91 15.52 27.18 91.80 52.26 -64.38 -37.91 0.84 0.00 99.15 0.13 0.05 0.51 99.07 0.24 0.00 0.00 0.00 61 K H H 157.50 0.98 18.57 17.93 92.97 50.06 -68.27 -36.33 0.95 0.00 99.05 0.04 0.04 0.80 98.66 0.45 0.00 0.00 0.00 62 K H H 114.41 5.43 16.32 22.84 98.40 39.92 -83.99 -37.13 2.20 0.00 97.80 0.05 0.10 2.07 97.40 0.38 0.00 0.00 0.00 63 F H H 65.08 13.45 12.03 25.72 103.52 25.47 -108.60 -10.74 7.84 0.02 92.14 0.38 1.29 6.16 91.84 0.30 0.02 0.00 0.02 64 G C C 38.78 2.68 18.52 21.38 127.19 -115.90 96.61 173.46 98.93 0.36 0.71 55.39 33.42 9.97 0.17 0.68 0.00 0.14 0.23 65 A C S 63.54 5.42 16.72 22.98 119.22 -25.08 -78.62 156.67 99.27 0.38 0.36 9.55 75.49 14.24 0.02 0.36 0.00 0.23 0.10 66 P C C 75.22 5.90 19.08 25.53 111.67 41.03 -74.53 137.83 98.89 0.86 0.25 63.40 21.89 13.45 0.02 0.39 0.00 0.72 0.12 67 W C C 36.38 20.97 13.50 33.75 129.99 173.85 -124.23 150.70 71.00 28.94 0.06 66.60 3.29 0.17 0.01 0.05 0.00 29.17 0.72 68 H E E 72.31 10.13 25.19 35.61 122.30 -149.90 -115.33 134.58 9.17 90.81 0.01 8.08 0.67 0.03 0.00 0.01 0.00 90.97 0.23 69 V E E 17.98 22.47 18.16 40.39 120.72 -159.67 -115.73 128.66 1.06 98.93 0.00 0.94 0.06 0.01 0.00 0.00 0.00 98.96 0.03 70 V E E 31.36 13.34 23.67 37.59 119.05 -166.92 -114.08 126.76 0.43 99.56 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.56 0.02 71 V E E 37.11 16.66 18.84 35.41 121.53 -166.28 -116.29 131.42 1.56 98.42 0.01 1.39 0.08 0.01 0.01 0.01 0.00 98.42 0.08 72 G E E 22.80 10.93 18.30 29.96 140.08 94.53 158.22 175.92 29.79 69.87 0.33 22.01 7.60 1.22 0.08 0.25 0.00 68.22 0.62 73 K C S 138.60 4.23 16.62 22.09 112.93 -85.66 -91.94 130.98 68.62 25.86 5.52 18.33 32.38 20.04 0.85 4.24 0.07 22.14 1.95 74 G C S 53.16 3.04 15.95 19.67 109.96 12.05 88.90 -2.80 82.71 6.23 11.06 13.05 37.17 33.60 1.66 8.58 0.06 4.31 1.57 75 F C C 115.12 9.25 11.11 21.18 116.04 -66.73 -104.00 125.11 68.94 13.56 17.50 26.48 22.40 22.16 3.85 12.84 0.11 9.40 2.76 76 S C C 71.02 5.06 13.16 20.03 121.76 86.35 -115.98 144.80 61.84 19.93 18.23 37.45 12.75 13.19 4.60 13.20 0.06 16.56 2.18 77 Y C C 134.72 8.08 11.63 21.11 124.49 -171.42 -129.44 142.55 51.09 28.28 20.63 33.21 10.82 9.40 6.54 13.37 0.09 24.44 2.13 78 E C E 129.86 3.59 14.63 19.99 121.38 -162.90 -121.05 132.23 45.16 37.27 17.57 32.67 7.78 6.23 7.33 9.60 0.04 34.01 2.35 79 I C C 80.72 12.59 10.08 22.84 121.07 -166.91 -116.43 132.39 50.34 39.93 9.73 41.81 5.56 2.77 6.26 3.47 0.02 37.43 2.67 80 T C C 88.86 3.93 15.05 20.48 117.48 -171.15 -114.01 131.11 58.90 34.49 6.61 47.61 7.36 3.41 3.76 2.72 0.02 33.16 1.97 81 Y C C 120.63 9.41 11.53 21.95 121.38 -167.55 -118.25 135.07 62.95 31.27 5.78 46.55 12.49 3.97 3.14 2.72 0.03 27.82 3.27 82 E C C 104.08 6.10 13.38 21.06 113.92 -160.03 -103.70 123.22 76.12 20.16 3.72 65.20 7.54 2.63 1.80 1.88 0.00 18.33 2.63 83 V C C 87.90 7.52 12.45 21.24 101.97 -136.85 -74.17 -19.93 66.51 7.50 25.99 32.59 14.59 20.60 3.23 22.29 0.03 5.24 1.43 84 R C T 154.98 4.02 17.12 21.92 98.20 48.10 -74.00 -6.56 72.97 3.30 23.74 12.80 18.86 42.06 1.95 21.19 0.01 2.28 0.86 85 N C T 59.65 11.49 15.48 27.45 104.41 53.80 -104.58 17.04 68.10 11.01 20.89 21.06 16.38 31.98 1.14 18.98 0.01 9.54 0.93 86 L E E 38.01 16.27 16.44 32.86 125.90 109.96 -115.78 142.29 22.91 76.79 0.30 18.69 3.75 0.67 0.08 0.21 0.00 75.97 0.62 87 L E E 29.51 16.74 19.78 36.81 122.21 -162.23 -115.83 133.47 3.41 96.55 0.04 2.92 0.31 0.06 0.01 0.02 0.00 96.61 0.07 88 Y E E 72.86 13.55 21.95 35.56 121.39 -158.05 -113.72 133.04 0.54 99.45 0.00 0.49 0.02 0.00 0.00 0.00 0.00 99.47 0.01 89 I E E 25.71 18.14 18.72 37.13 125.40 -171.64 -123.96 136.63 0.29 99.70 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.71 0.01 90 Y E E 87.75 10.51 20.05 31.33 116.38 -151.32 -106.47 126.91 0.90 99.09 0.01 0.83 0.04 0.01 0.00 0.00 0.00 99.06 0.05 91 V E E 38.09 16.10 14.81 30.73 114.71 -175.87 -122.59 107.61 17.78 81.86 0.35 10.51 5.12 2.27 0.05 0.32 0.00 81.36 0.36 92 G C T 47.09 4.97 17.21 22.94 95.14 -33.72 63.80 27.80 78.05 19.52 2.44 3.46 19.75 56.02 0.08 2.55 0.00 17.38 0.76 93 G C T 46.97 6.22 16.51 23.29 98.39 -57.74 77.18 -13.30 97.04 0.39 2.57 1.49 17.49 77.78 0.07 2.80 0.00 0.25 0.12 94 R C T 131.13 6.98 18.49 26.04 101.58 45.93 -102.65 -13.06 97.81 1.11 1.08 1.85 21.49 74.54 0.03 1.09 0.00 0.84 0.15 95 T E E 27.39 14.56 18.40 33.86 125.69 60.04 -122.41 138.36 10.41 89.56 0.03 8.61 1.15 0.10 0.00 0.02 0.00 89.87 0.24 96 A E E 8.80 19.58 20.67 40.50 128.85 -171.59 -125.48 146.15 0.59 99.41 0.00 0.53 0.02 0.00 0.00 0.00 0.00 99.43 0.01 97 V E E 9.65 20.74 24.61 45.08 121.48 -156.42 -117.56 129.54 0.14 99.86 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 98 L E E 10.54 20.87 25.34 45.75 116.92 -155.41 -105.41 125.87 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 99 L E E 11.36 21.19 23.74 44.58 118.79 -162.54 -109.47 127.72 0.31 99.69 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.72 0.00 100 W E E 31.11 17.78 21.28 39.06 130.63 -175.12 -127.38 148.74 1.58 98.42 0.00 1.46 0.04 0.00 0.00 0.00 0.00 98.46 0.05 101 K E E 69.48 12.59 19.75 32.66 117.39 -132.00 -103.08 132.61 19.53 80.44 0.02 18.67 0.34 0.06 0.00 0.02 0.00 80.31 0.60 102 M C C 63.96 14.53 17.03 31.26 111.91 -147.31 -92.96 127.53 99.64 0.36 0.00 99.64 0.07 0.02 0.00 0.00 0.00 0.27 0.00