# 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 88.50 10.42 12.42 23.50 116.22 -157.94 -96.38 130.97 99.45 0.53 0.02 99.44 0.14 0.05 0.01 0.00 0.00 0.32 0.05 1 D C C 92.31 4.69 12.67 18.94 111.41 -145.32 -93.41 117.05 81.10 16.31 2.59 78.43 1.21 2.04 1.07 1.03 0.00 11.04 5.18 2 V C C 93.18 7.01 9.45 17.78 101.71 -168.93 -87.40 1.84 82.84 13.34 3.83 46.74 15.39 21.73 1.03 2.64 0.01 9.66 2.81 3 D C C 113.69 2.13 12.83 15.83 103.00 73.90 -87.82 18.10 89.14 8.45 2.41 41.07 27.04 21.88 0.43 2.03 0.00 5.86 1.68 4 T C C 72.02 6.93 10.20 18.82 116.80 107.79 -94.10 131.90 94.74 4.85 0.41 65.00 29.27 1.02 0.15 0.26 0.00 2.78 1.52 5 P C C 74.42 6.69 11.59 20.00 113.07 -107.73 -66.24 148.45 91.45 3.85 4.70 72.73 8.26 10.23 1.32 3.42 0.00 2.46 1.58 6 S C C 79.60 4.35 12.24 18.37 109.59 -114.27 -79.99 138.31 85.91 5.68 8.41 45.35 18.07 22.87 1.99 6.34 0.01 3.13 2.24 7 G C C 47.82 5.09 12.57 19.09 111.29 17.09 98.13 33.12 80.99 8.36 10.65 37.89 23.48 20.58 2.63 7.71 0.02 4.76 2.93 8 T C C 86.18 5.29 12.23 19.03 113.58 -48.36 -96.09 132.93 76.75 10.92 12.33 43.25 18.84 15.15 4.16 8.03 0.03 6.51 4.03 9 N C C 100.01 5.64 11.10 18.28 109.05 -144.41 -89.77 103.06 77.32 9.94 12.73 40.75 19.56 17.83 4.74 7.61 0.04 5.68 3.79 10 S C C 75.73 4.92 11.18 17.58 103.68 -146.86 -86.11 18.24 79.37 6.31 14.32 34.25 21.60 24.83 5.02 8.36 0.03 3.46 2.43 11 G C C 51.51 3.77 11.81 16.99 104.00 -81.06 61.08 2.62 79.81 4.34 15.85 30.52 23.51 27.11 5.13 9.56 0.03 2.25 1.88 12 A C T 76.17 3.87 10.76 16.29 106.92 89.37 -85.99 88.29 77.12 4.08 18.80 25.93 22.08 30.42 6.84 10.72 0.04 2.18 1.78 13 G C C 48.02 4.04 12.36 17.81 112.19 -30.95 83.71 -64.13 75.81 6.31 17.89 30.32 22.73 24.31 6.88 9.92 0.05 3.78 2.01 14 K C C 127.65 5.27 12.56 19.42 114.78 -30.61 -89.96 135.16 67.75 14.32 17.93 44.92 14.20 8.64 10.29 7.98 0.06 10.52 3.40 15 K C C 112.16 7.65 13.38 22.13 114.92 -132.20 -88.28 131.71 56.35 24.88 18.77 42.05 7.87 5.72 13.10 6.30 0.05 21.60 3.32 16 R C E 121.18 9.25 15.43 25.14 115.37 -151.88 -100.39 134.70 43.72 35.09 21.19 29.66 8.52 5.41 16.89 5.34 0.10 31.13 2.95 17 F E E 54.71 15.87 12.84 28.58 121.88 -144.04 -113.43 135.05 39.25 41.30 19.45 29.95 4.93 3.31 16.19 4.07 0.03 39.26 2.26 18 E E E 111.76 5.20 19.90 25.95 117.05 -153.71 -103.57 129.79 36.29 46.31 17.40 28.72 3.50 2.61 14.91 3.31 0.02 45.08 1.85 19 V C E 40.48 17.33 11.00 27.75 115.28 -154.95 -99.09 125.53 37.29 35.15 27.56 28.55 3.90 3.59 21.71 5.89 0.03 34.69 1.63 20 K C C 123.70 4.58 17.17 22.45 105.95 -171.52 -90.22 -11.18 44.18 26.67 29.15 25.94 8.79 8.86 21.41 7.68 0.11 25.71 1.49 21 K C C 120.54 5.47 16.62 22.71 115.30 -13.40 -103.36 127.17 45.45 24.51 30.03 24.84 9.75 11.01 21.35 8.74 0.19 22.31 1.81 22 W C C 108.77 12.90 13.13 25.65 103.05 -147.27 -84.09 5.56 48.11 20.22 31.68 27.55 9.88 10.18 25.43 6.94 0.16 17.83 2.03 23 N C C 77.77 8.38 16.94 25.76 106.94 66.50 -92.08 45.52 52.45 16.33 31.22 28.67 10.97 11.73 26.38 5.85 0.15 14.54 1.71 24 A H H 46.04 10.74 16.44 27.37 98.70 60.42 -71.16 -29.76 36.40 22.06 41.54 18.93 8.35 9.12 34.44 6.66 0.24 20.55 1.69 25 V H H 58.44 11.66 17.98 29.50 99.30 58.87 -77.61 -31.18 21.73 35.42 42.85 12.21 4.13 5.05 37.85 5.48 0.10 33.82 1.35 26 A H E 33.95 13.51 17.77 31.19 99.18 60.86 -73.33 -30.20 16.74 40.22 43.03 10.01 2.63 3.37 38.56 5.04 0.04 39.42 0.92 27 L H E 57.07 13.04 18.86 31.64 100.92 64.45 -76.55 -30.69 14.52 41.87 43.61 8.58 2.18 2.86 39.93 4.40 0.03 41.22 0.79 28 W H H 92.59 12.09 19.47 31.33 101.67 53.32 -76.63 -27.26 15.82 40.93 43.25 9.30 2.37 3.19 39.93 4.36 0.04 39.85 0.96 29 A H H 31.54 14.24 18.35 32.42 100.62 52.93 -75.59 -25.54 20.12 35.77 44.11 11.67 3.27 4.28 39.55 4.86 0.07 35.16 1.14 30 W H H 84.63 13.86 18.26 31.73 99.38 54.26 -76.20 -25.59 22.34 31.09 46.57 12.26 3.93 5.39 41.03 5.32 0.10 30.73 1.24 31 D H H 65.55 10.38 19.40 29.80 101.01 57.68 -81.93 -3.98 25.55 29.13 45.32 14.26 4.20 5.84 39.93 5.25 0.09 29.24 1.19 32 I H H 54.75 13.18 17.26 30.42 105.00 54.11 -86.48 16.82 23.53 32.30 44.18 13.38 3.87 5.21 39.68 4.81 0.08 31.61 1.37 33 V H H 52.54 12.08 17.95 30.30 105.21 72.39 -87.47 16.10 25.83 32.89 41.27 15.35 4.01 5.37 37.91 4.18 0.08 31.31 1.79 34 V C H 45.23 14.14 15.16 29.36 104.51 87.43 -87.65 4.00 37.77 25.28 36.95 22.56 6.21 8.25 32.85 4.77 0.13 23.06 2.17 35 D C H 87.72 6.79 18.00 25.37 100.34 58.22 -78.33 -12.29 60.69 11.35 27.95 23.75 11.73 23.72 24.51 4.86 0.14 9.91 1.37 36 N C C 94.98 6.73 18.29 25.57 100.94 31.00 -91.49 22.23 68.24 8.72 23.04 26.59 15.59 25.61 18.69 5.16 0.12 6.67 1.56 37 C C C 26.74 17.04 13.13 29.81 110.93 132.61 -89.34 118.61 69.90 9.44 20.65 53.86 9.29 5.63 18.68 3.60 0.02 6.29 2.65 38 A H H 51.32 7.97 20.13 28.72 95.75 -143.12 -66.31 -32.05 33.64 6.67 59.69 15.90 8.20 11.56 50.70 6.85 0.28 5.17 1.33 39 I H H 48.44 13.21 19.56 32.76 95.18 54.20 -71.73 -38.56 26.61 11.91 61.48 10.15 5.75 12.03 51.50 7.55 0.79 10.43 1.79 40 C H H 17.53 18.54 17.65 35.61 96.84 45.35 -73.82 -33.63 26.47 12.36 61.17 13.77 4.87 9.02 51.50 7.56 0.28 11.38 1.63 41 R H H 93.17 13.43 19.25 31.86 93.98 55.17 -64.89 -41.08 19.07 4.84 76.08 10.11 3.87 6.82 69.69 4.37 0.15 4.22 0.77 42 N H H 90.10 4.90 22.08 26.94 94.30 44.13 -70.08 -38.10 19.67 3.31 77.02 6.43 3.74 10.65 71.53 3.84 0.31 2.91 0.59 43 H H H 67.83 11.32 21.15 32.38 96.37 46.92 -73.57 -40.37 18.79 4.34 76.87 6.93 3.30 9.52 72.02 3.36 0.27 3.91 0.69 44 I H H 8.78 23.09 18.34 40.92 92.48 50.17 -64.81 -43.54 10.36 4.67 84.97 4.73 1.90 4.25 82.23 1.99 0.15 4.28 0.46 45 M H H 53.11 13.90 21.38 35.00 91.69 51.15 -63.48 -41.99 8.08 3.67 88.25 3.91 1.29 3.20 85.60 1.94 0.11 3.68 0.28 46 D H H 74.56 4.01 24.85 28.63 91.68 49.89 -65.20 -40.88 8.76 2.81 88.42 3.94 1.34 3.87 85.54 2.14 0.10 2.82 0.25 47 L H H 24.74 14.81 21.12 36.32 92.01 49.52 -65.20 -42.33 8.27 2.74 88.99 3.27 1.38 3.95 86.37 2.00 0.15 2.62 0.26 48 C H H 9.34 20.92 18.49 39.22 92.13 50.76 -64.25 -42.24 9.46 3.39 87.15 4.51 1.47 3.74 84.98 1.73 0.11 3.15 0.31 49 I H H 70.98 6.92 22.42 29.73 91.95 49.65 -64.65 -41.87 7.62 3.77 88.61 3.47 1.31 3.21 86.08 1.92 0.11 3.60 0.29 50 E H H 98.73 3.81 23.14 26.66 92.11 48.82 -65.60 -40.40 8.32 3.11 88.57 3.53 1.33 3.82 85.72 2.17 0.09 3.07 0.26 51 C H H 15.88 16.26 15.91 32.77 92.60 50.13 -66.43 -39.64 12.89 2.25 84.86 5.36 1.97 6.13 81.42 2.62 0.08 2.13 0.29 52 Q H H 77.37 11.18 17.44 28.74 92.88 53.28 -66.26 -37.25 17.75 1.49 80.76 6.82 2.88 9.02 76.69 3.01 0.10 1.15 0.34 53 A H H 68.62 2.94 17.31 20.50 93.14 55.19 -67.64 -34.90 28.08 1.02 70.90 6.49 4.74 17.92 66.11 3.55 0.20 0.58 0.40 54 N H H 93.91 4.73 15.40 21.04 99.20 43.82 -90.40 -2.90 47.27 1.09 51.64 12.42 7.61 28.21 47.28 3.37 0.09 0.51 0.51 55 Q C H 85.43 10.76 11.92 23.04 97.91 85.12 -72.79 -18.97 58.90 2.10 39.00 31.39 11.40 17.19 33.37 4.64 0.04 0.91 1.04 56 A C T 72.20 3.89 14.14 19.26 96.97 86.98 -69.28 -31.08 63.92 2.02 34.06 25.91 12.22 26.78 26.10 6.98 0.05 0.99 0.98 57 S C T 75.19 3.37 14.40 18.58 101.00 49.89 -86.31 -7.02 69.68 2.10 28.23 26.41 14.59 29.84 19.43 7.61 0.05 0.98 1.09 58 A C C 51.83 10.09 10.11 20.92 104.98 101.78 -80.38 34.94 76.79 2.47 20.73 39.20 20.98 17.05 13.31 6.95 0.02 1.08 1.42 59 T C C 89.94 4.30 14.13 19.64 104.35 93.16 -89.00 10.39 82.03 3.15 14.82 47.33 19.13 15.63 8.92 5.75 0.01 1.44 1.78 60 S C C 60.06 7.25 13.10 21.47 109.85 81.96 -89.05 128.61 77.49 2.56 19.95 40.15 21.37 16.35 8.91 10.57 0.01 1.10 1.54 61 E C T 123.03 5.89 15.27 22.32 100.14 -130.19 -78.04 -12.68 70.18 1.85 27.97 21.27 20.06 29.91 9.68 17.08 0.05 0.89 1.06 62 E C T 106.52 7.16 18.09 25.88 105.22 92.75 -86.94 29.19 68.29 4.67 27.04 25.07 17.11 27.80 8.90 16.71 0.06 2.81 1.53 63 C C C 21.95 19.75 14.61 33.61 116.22 103.09 -98.71 131.65 64.96 16.58 18.46 42.60 13.65 9.63 6.47 11.34 0.02 14.31 1.97 64 T E E 38.07 13.22 23.95 37.17 116.91 -164.46 -104.86 129.31 41.36 52.79 5.85 31.40 7.54 3.37 2.92 2.60 0.01 50.61 1.56 65 V E E 16.46 21.92 21.32 42.54 123.93 -156.38 -113.32 137.27 13.20 84.87 1.92 10.98 1.75 0.65 1.28 0.60 0.00 84.12 0.63 66 A E E 12.50 18.25 24.51 42.31 131.30 -172.91 -127.88 148.83 3.86 94.92 1.22 3.33 0.38 0.21 1.05 0.24 0.00 94.37 0.42 67 W E E 58.53 17.59 22.28 39.17 117.97 -136.14 -105.24 130.32 9.14 89.23 1.63 7.59 1.27 0.66 1.29 0.49 0.00 87.69 1.01 68 G C C 9.28 19.12 18.16 36.69 125.30 -161.07 -90.47 -171.12 67.74 30.19 2.07 51.49 8.65 5.65 0.49 1.43 0.00 31.33 0.96 69 V C T 62.96 12.25 21.22 33.25 93.91 -75.43 -67.79 -26.53 88.49 7.54 3.97 6.98 19.24 62.14 0.47 3.56 0.00 6.78 0.83 70 C C T 33.12 15.37 17.79 33.03 97.44 42.37 -92.70 5.43 95.01 1.24 3.75 5.47 18.65 70.74 0.46 3.48 0.00 0.90 0.30 71 N C S 86.79 9.54 22.24 31.83 94.58 -108.71 66.37 25.90 92.20 4.86 2.95 20.98 47.24 24.19 0.32 2.67 0.00 3.70 0.91 72 H C C 32.88 17.67 20.65 38.10 121.88 138.09 -94.14 144.80 68.27 31.34 0.39 57.75 7.34 1.30 0.13 0.27 0.00 32.15 1.07 73 A E E 14.06 19.40 24.52 43.45 123.48 -145.20 -111.10 137.92 8.67 91.18 0.15 7.87 0.76 0.09 0.11 0.05 0.00 90.17 0.94 74 F E E 6.32 23.87 23.59 47.13 135.17 -174.34 -134.83 154.79 2.75 97.15 0.10 2.63 0.19 0.02 0.10 0.02 0.00 95.94 1.08 75 H E E 19.44 18.09 24.27 42.40 115.29 -108.20 -73.70 144.13 19.91 79.94 0.14 19.92 0.53 0.04 0.13 0.04 0.00 77.40 1.93 76 F H H 45.29 18.09 21.18 39.01 91.78 -116.05 -58.98 -38.34 2.29 0.03 97.68 0.29 0.25 1.74 96.98 0.71 0.00 0.02 0.00 77 H H H 87.93 6.50 25.92 33.13 91.85 55.13 -63.96 -38.87 0.82 0.01 99.18 0.06 0.05 0.68 98.54 0.67 0.00 0.00 0.00 78 C H H 8.51 18.65 21.24 40.12 92.06 49.68 -65.45 -42.69 0.41 0.00 99.59 0.04 0.03 0.30 98.82 0.81 0.00 0.00 0.00 79 I H H 4.50 25.08 19.08 44.12 91.55 50.70 -63.53 -43.15 0.21 0.00 99.78 0.02 0.02 0.14 99.65 0.16 0.00 0.00 0.00 80 S H H 39.21 8.94 22.14 31.73 91.60 51.58 -63.28 -41.87 0.55 0.01 99.44 0.07 0.04 0.41 99.31 0.16 0.00 0.00 0.00 81 R H H 103.62 4.71 22.42 27.22 91.93 49.91 -64.95 -42.01 0.77 0.01 99.22 0.07 0.05 0.65 99.03 0.19 0.00 0.00 0.00 82 W H H 22.24 17.99 16.00 34.51 92.02 49.79 -64.69 -42.36 0.85 0.01 99.14 0.08 0.06 0.69 98.91 0.27 0.00 0.00 0.00 83 L H H 42.66 16.14 15.21 31.07 92.46 51.03 -66.11 -37.90 3.97 0.02 96.01 0.27 0.21 3.57 95.16 0.77 0.01 0.01 0.01 84 K H H 143.65 2.08 18.06 20.09 93.07 48.88 -70.92 -34.07 11.13 0.04 88.83 0.52 0.60 9.86 88.46 0.52 0.02 0.01 0.02 85 T H H 79.70 3.39 16.33 20.23 99.15 31.95 -100.62 -14.78 36.18 0.31 63.52 3.89 5.66 25.90 63.39 0.77 0.07 0.09 0.21 86 R C T 122.55 9.56 16.09 26.28 97.44 -118.28 57.00 38.83 95.33 1.29 3.38 35.83 22.51 37.14 2.79 0.64 0.00 0.73 0.36 87 Q C C 73.71 11.41 17.74 29.46 102.44 123.14 -97.02 29.26 88.82 10.81 0.37 58.32 25.82 4.25 0.14 0.24 0.00 10.59 0.64 88 V E B 41.19 10.52 21.01 32.65 131.05 99.99 -129.69 145.67 7.74 92.19 0.06 6.44 0.62 0.02 0.07 0.01 0.00 17.21 75.62 89 C C C 6.18 21.17 14.82 37.26 109.25 -114.65 -73.96 125.07 90.76 9.22 0.02 91.63 0.44 0.05 0.00 0.01 0.00 6.63 1.22 90 P C T 42.41 11.89 19.70 33.02 92.91 -147.12 -67.75 -23.50 99.67 0.10 0.23 0.55 3.73 95.46 0.01 0.17 0.00 0.07 0.02 91 L C T 65.81 12.23 17.58 29.77 98.10 47.60 -80.28 -40.59 99.63 0.10 0.26 0.21 2.74 96.78 0.01 0.18 0.00 0.05 0.02 92 D C T 71.78 5.82 16.12 23.18 101.42 21.16 -107.07 -7.25 99.60 0.12 0.27 1.19 4.39 94.06 0.02 0.23 0.00 0.08 0.03 93 N C C 110.78 5.22 14.53 21.66 93.63 -125.57 65.60 23.84 99.35 0.42 0.24 76.49 7.71 15.17 0.07 0.14 0.00 0.25 0.18 94 R C C 111.48 5.44 15.21 22.53 119.87 144.22 -82.68 146.92 83.64 16.14 0.22 74.36 8.90 0.42 0.09 0.14 0.00 12.58 3.50 95 E E B 124.89 4.37 18.06 23.83 114.48 -109.15 -75.02 136.75 10.28 89.44 0.28 8.38 0.51 0.10 0.27 0.07 0.00 28.38 62.28 96 W C C 36.60 21.36 9.92 30.11 124.65 -157.10 -113.57 146.28 88.38 11.00 0.62 85.52 2.37 0.49 0.15 0.38 0.00 10.45 0.64 97 E C C 118.92 3.20 22.44 25.82 121.29 -149.73 -109.56 138.80 84.04 14.33 1.63 78.46 4.67 1.04 0.47 0.99 0.00 12.46 1.92 98 F C C 72.14 17.47 11.49 28.04 114.54 -123.48 -85.17 132.75 70.23 25.99 3.78 62.57 4.70 2.28 1.43 2.18 0.00 20.91 5.92 99 Q C C 90.95 7.00 14.91 23.32 118.60 -164.92 -106.47 136.38 69.28 25.58 5.14 57.50 7.25 4.41 1.62 3.34 0.00 22.98 2.90 100 K C C 134.30 4.53 14.09 20.38 112.01 -128.91 -89.35 127.37 69.94 23.62 6.44 54.23 8.34 7.47 1.76 4.62 0.01 20.67 2.89 101 Y C C 121.26 9.33 10.12 20.18 113.23 -133.40 -94.34 123.98 82.39 13.25 4.36 44.68 13.56 24.96 1.13 3.05 0.01 10.99 1.62 102 G C C 50.77 3.60 11.72 16.87 111.19 17.34 92.56 -8.37 92.18 5.77 2.05 63.72 5.76 22.69 0.51 1.37 0.00 5.09 0.85 103 H C C 135.80 3.68 12.34 17.67 111.06 22.16 -94.37 111.98 99.56 0.39 0.04 99.35 0.23 0.10 0.01 0.01 0.00 0.26 0.04