# 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 115.49 5.78 13.72 20.81 112.49 -160.65 -92.20 125.56 99.88 0.11 0.01 99.85 0.06 0.02 0.00 0.00 0.00 0.05 0.01 1 A C C 61.53 7.14 11.60 20.11 114.71 -159.99 -90.19 139.40 93.65 5.10 1.25 89.57 1.19 3.28 0.32 0.58 0.00 4.30 0.76 2 K C C 128.97 5.25 14.30 21.02 113.72 -144.29 -98.15 127.49 83.64 14.91 1.45 58.58 17.50 6.45 0.20 1.45 0.00 14.95 0.86 3 Q C E 66.30 12.61 14.01 27.11 123.43 -164.13 -113.72 141.52 56.39 42.56 1.05 42.04 11.52 2.11 0.14 0.92 0.00 42.57 0.71 4 K E E 89.24 9.67 20.22 30.35 125.76 -158.55 -119.13 140.75 20.49 79.34 0.17 18.41 1.72 0.20 0.04 0.10 0.00 79.06 0.47 5 I E E 10.66 22.56 16.05 38.89 123.22 -161.32 -119.35 134.10 4.11 95.88 0.01 3.95 0.14 0.01 0.00 0.00 0.00 95.79 0.10 6 R E E 86.79 9.33 25.11 34.74 117.84 -157.88 -110.11 126.74 1.34 98.66 0.00 1.26 0.04 0.00 0.00 0.00 0.00 98.68 0.02 7 I E E 5.74 24.84 17.22 42.71 120.64 -166.84 -115.46 128.94 0.62 99.38 0.00 0.61 0.01 0.00 0.00 0.00 0.00 99.37 0.01 8 R E E 82.96 9.35 26.82 36.65 117.04 -160.93 -109.53 124.42 0.52 99.48 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.48 0.01 9 L E E 3.55 26.09 17.34 44.32 123.47 -169.77 -117.42 136.41 1.21 98.79 0.00 1.20 0.02 0.00 0.00 0.00 0.00 98.76 0.02 10 K E E 79.46 9.22 27.10 36.79 124.30 -167.42 -121.51 136.75 3.44 96.55 0.01 3.22 0.14 0.01 0.00 0.00 0.00 96.51 0.11 11 A E E 7.23 22.37 14.49 36.87 135.98 169.17 -141.95 158.36 25.06 74.89 0.05 24.37 0.78 0.08 0.01 0.03 0.00 73.84 0.89 12 Y C S 124.37 6.88 21.20 28.80 94.72 -133.98 -77.09 -25.97 98.90 1.08 0.03 5.50 93.07 0.55 0.00 0.01 0.00 0.79 0.06 13 D C C 63.06 7.31 19.46 27.77 115.92 53.22 -118.16 111.91 98.79 1.09 0.13 65.97 32.64 0.40 0.07 0.04 0.00 0.47 0.41 14 H H H 91.67 13.15 14.37 27.81 92.99 -157.09 -63.08 -34.53 2.87 0.01 97.12 0.45 0.47 1.79 96.59 0.69 0.00 0.00 0.00 15 R H H 158.99 1.58 21.59 22.11 91.88 55.84 -64.23 -40.50 1.46 0.00 98.54 0.15 0.14 1.08 98.01 0.61 0.00 0.00 0.00 16 I H H 39.72 11.56 18.78 31.39 92.06 48.13 -65.40 -41.74 0.60 0.00 99.40 0.11 0.06 0.36 98.90 0.57 0.00 0.00 0.00 17 L H H 4.95 24.88 14.87 39.91 91.18 51.01 -63.20 -43.34 0.28 0.00 99.72 0.05 0.02 0.13 99.68 0.12 0.00 0.00 0.00 18 D H H 67.15 8.94 23.29 32.30 91.54 50.34 -63.78 -41.98 0.26 0.00 99.74 0.04 0.01 0.14 99.78 0.04 0.00 0.00 0.00 19 Q H H 93.74 3.00 26.47 28.61 91.64 49.24 -64.48 -42.05 0.20 0.00 99.80 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 20 S H H 7.01 19.65 20.93 40.64 91.82 49.64 -64.21 -42.64 0.23 0.00 99.77 0.02 0.01 0.15 99.80 0.02 0.00 0.00 0.00 21 A H H 6.32 22.76 20.08 42.51 91.21 51.84 -62.70 -42.26 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.01 0.00 0.00 0.00 22 E H H 105.02 4.15 26.56 30.92 91.43 50.86 -63.75 -41.68 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 23 K H H 82.39 8.51 25.44 34.27 91.62 49.57 -64.61 -42.31 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 24 I H H 1.88 26.78 20.46 47.49 91.23 49.07 -63.80 -43.76 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 25 V H H 25.75 17.30 22.34 39.10 91.26 49.66 -62.92 -43.02 0.13 0.00 99.87 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 26 E H H 102.42 2.48 26.94 28.08 91.40 50.00 -63.49 -42.13 0.29 0.00 99.71 0.04 0.01 0.15 99.77 0.02 0.00 0.00 0.00 27 T H H 18.84 13.95 21.12 35.85 91.83 49.50 -64.37 -42.55 0.53 0.00 99.47 0.04 0.03 0.35 99.51 0.06 0.00 0.00 0.00 28 A H H 3.42 24.21 14.81 39.31 91.27 50.96 -63.36 -42.29 1.02 0.00 98.97 0.14 0.07 0.64 98.93 0.21 0.00 0.00 0.00 29 K H H 130.03 4.70 19.89 25.92 91.30 50.83 -62.99 -40.15 2.02 0.01 97.97 0.27 0.12 1.48 97.32 0.80 0.00 0.01 0.00 30 R H H 160.64 2.40 19.51 22.13 90.94 53.48 -65.97 -28.82 8.63 0.02 91.35 0.29 0.33 8.09 90.49 0.77 0.01 0.01 0.01 31 S C T 36.83 13.60 13.89 28.02 94.08 50.89 -88.73 -1.14 69.25 0.05 30.70 0.44 1.30 66.55 30.66 0.98 0.01 0.01 0.04 32 G C T 56.61 1.58 21.29 21.73 95.68 -105.99 84.23 12.46 99.84 0.02 0.14 2.35 1.68 95.88 0.05 0.03 0.00 0.01 0.00 33 A C C 14.63 21.63 9.62 30.26 121.04 140.84 -86.86 148.77 98.52 1.45 0.02 96.70 1.87 0.11 0.00 0.01 0.00 1.21 0.10 34 S E E 75.61 2.78 24.38 26.78 111.49 -125.61 -87.44 126.46 48.29 51.61 0.09 45.63 1.70 0.23 0.02 0.07 0.00 51.39 0.96 35 V E E 31.39 23.03 10.81 32.43 121.67 -166.11 -114.84 132.87 12.77 87.17 0.06 12.29 0.41 0.04 0.03 0.03 0.00 79.31 7.88 36 S E E 68.88 4.40 20.82 25.78 115.71 -171.33 -111.65 126.13 32.56 67.38 0.05 25.38 6.90 0.37 0.01 0.05 0.00 66.19 1.10 37 G C E 33.66 4.87 20.74 26.11 132.58 -21.66 114.20 -175.92 57.92 42.06 0.02 19.88 37.06 0.51 0.00 0.02 0.00 42.21 0.31 38 P C C 66.25 13.13 16.30 29.28 115.84 -58.78 -70.50 145.97 64.52 35.45 0.02 57.87 4.93 0.15 0.00 0.03 0.00 36.37 0.66 39 I E E 33.32 16.73 15.89 33.13 119.11 -153.35 -114.94 126.24 20.54 79.44 0.02 18.87 0.98 0.03 0.01 0.01 0.00 70.96 9.14 40 P E E 78.88 5.83 23.25 29.64 114.63 -116.62 -68.98 143.21 35.46 64.53 0.01 34.49 0.98 0.04 0.00 0.01 0.00 61.48 3.00 41 L C C 31.86 21.68 12.82 33.72 116.69 -121.66 -84.55 138.10 90.90 9.09 0.01 88.74 2.59 0.04 0.00 0.01 0.00 8.13 0.47 42 P C C 41.70 11.35 17.49 29.98 114.16 -104.67 -65.76 148.43 90.16 9.53 0.31 87.63 2.39 0.39 0.06 0.22 0.00 8.53 0.78 43 T C S 86.08 7.36 16.57 25.05 99.04 -151.93 -88.82 -16.99 75.85 22.77 1.38 33.85 40.46 2.28 0.20 1.12 0.00 21.09 0.99 44 E E E 100.91 5.00 18.61 24.68 126.25 51.69 -121.16 143.53 19.86 78.48 1.67 14.82 4.73 1.32 0.30 1.09 0.00 77.21 0.52 45 K E E 92.16 14.28 13.63 27.65 128.95 -170.55 -132.40 140.44 6.17 93.00 0.84 5.22 0.67 0.26 0.23 0.35 0.00 93.08 0.17 46 S E E 37.21 9.37 17.69 28.49 128.63 -169.78 -126.60 146.73 2.20 97.64 0.16 1.82 0.18 0.05 0.05 0.05 0.00 97.79 0.07 47 I E E 69.76 11.02 16.88 28.92 119.43 -145.96 -110.56 129.58 1.46 98.42 0.13 1.23 0.09 0.02 0.03 0.04 0.00 98.55 0.03 48 Y E E 52.25 13.41 15.70 30.35 123.55 -169.08 -117.75 137.06 1.78 98.00 0.22 1.55 0.11 0.03 0.07 0.07 0.00 98.12 0.05 49 T E E 53.83 9.19 18.82 29.19 119.03 -149.68 -106.57 131.86 3.28 96.41 0.31 2.99 0.16 0.05 0.14 0.10 0.00 96.43 0.12 50 V E E 29.50 14.64 14.95 30.68 118.96 -160.01 -110.71 128.99 11.85 86.48 1.67 10.28 1.09 0.41 1.04 0.54 0.00 86.03 0.61 51 L E E 66.38 8.57 16.04 26.12 115.81 -142.83 -92.90 132.42 33.06 61.87 5.07 25.57 6.14 2.18 2.80 2.03 0.00 60.08 1.20 52 R C E 115.50 7.84 14.21 23.33 114.82 -145.85 -94.54 131.78 50.89 39.73 9.38 35.49 11.68 4.45 5.39 3.89 0.04 36.61 2.44 53 A C C 44.79 7.46 11.18 20.50 117.15 -118.46 -90.46 138.43 70.59 18.84 10.57 53.30 10.49 6.04 5.82 4.88 0.02 16.90 2.55 54 V C T 98.89 4.11 10.65 16.36 101.92 -136.17 -76.79 -7.34 78.21 5.47 16.32 23.62 27.69 28.36 7.04 8.11 0.08 3.40 1.69 55 H C T 135.09 2.46 9.86 13.45 109.63 51.98 -92.56 109.29 80.72 2.98 16.29 18.01 28.84 35.32 5.77 9.03 0.04 1.60 1.40 56 K C T 156.79 1.79 10.55 13.18 100.49 -43.72 -72.72 -9.67 83.09 3.68 13.22 20.77 30.08 33.68 3.64 8.30 0.02 2.05 1.44 57 Y C C 124.43 5.29 8.42 15.49 111.05 66.53 -103.62 99.71 81.72 9.32 8.96 43.77 19.06 19.87 2.42 6.32 0.01 5.95 2.61 58 K C T 144.29 3.02 10.88 15.52 98.67 -153.20 -73.13 -22.53 80.26 10.46 9.28 25.92 21.36 34.46 1.54 7.40 0.02 7.65 1.66 59 D C T 110.53 2.38 13.16 16.34 100.35 48.56 -88.98 11.43 79.40 12.86 7.74 27.85 19.63 33.13 1.06 6.48 0.01 10.55 1.28 60 S C C 41.56 9.41 9.88 20.83 117.65 113.93 -91.00 140.70 72.95 22.77 4.28 53.93 13.00 5.49 0.79 3.70 0.00 21.60 1.48 61 R C E 123.14 7.40 13.47 22.36 122.95 -159.23 -113.65 140.30 49.44 48.84 1.72 39.11 6.98 2.95 0.43 1.29 0.00 47.78 1.46 62 E E E 91.19 9.25 14.22 24.58 121.38 -151.56 -109.10 138.93 29.36 70.00 0.64 23.79 4.07 1.14 0.14 0.47 0.00 69.88 0.51 63 Q E E 91.63 8.02 15.72 24.97 123.15 -156.49 -116.19 138.01 11.98 87.85 0.17 9.94 1.59 0.37 0.04 0.11 0.00 87.73 0.22 64 F E E 57.12 14.14 13.03 27.86 127.81 -174.14 -123.88 146.48 3.17 96.80 0.03 2.82 0.17 0.03 0.01 0.01 0.00 96.90 0.06 65 E E E 91.43 6.89 18.65 26.69 122.88 -155.69 -116.48 137.34 0.91 99.08 0.01 0.79 0.04 0.01 0.00 0.00 0.00 99.14 0.02 66 M E E 57.44 15.34 14.45 29.89 124.98 -163.85 -118.10 138.23 0.81 99.19 0.01 0.71 0.02 0.00 0.00 0.00 0.00 99.25 0.01 67 R E E 91.37 9.22 19.04 29.19 122.39 -166.61 -115.81 134.61 0.92 99.07 0.00 0.81 0.03 0.00 0.00 0.00 0.00 99.14 0.01 68 T E E 44.23 13.63 17.22 31.40 122.15 -161.10 -113.49 134.32 1.87 98.13 0.01 1.61 0.11 0.01 0.00 0.00 0.00 98.23 0.03 69 H E E 40.97 13.88 17.93 32.77 125.72 -171.88 -123.43 140.35 3.70 96.29 0.01 3.21 0.31 0.03 0.00 0.01 0.00 96.36 0.07 70 K E E 90.59 11.13 20.90 32.08 123.34 -152.76 -111.15 137.61 7.00 92.99 0.01 6.41 0.33 0.02 0.00 0.00 0.00 93.16 0.08 71 R E E 37.15 18.53 18.01 36.23 127.01 -167.30 -123.72 139.70 4.41 95.59 0.01 4.10 0.20 0.01 0.00 0.00 0.00 95.64 0.06 72 L E E 41.35 11.41 23.74 35.99 118.15 -152.69 -109.40 128.20 0.93 99.07 0.00 0.83 0.03 0.00 0.00 0.00 0.00 99.12 0.02 73 I E E 6.53 24.08 18.04 42.69 119.85 -165.37 -113.64 127.83 0.25 99.75 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 74 D E E 47.77 9.69 26.33 36.62 116.19 -159.52 -106.31 124.04 0.35 99.65 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.68 0.00 75 I E E 9.61 23.19 16.54 40.20 115.41 -162.05 -106.03 122.52 3.41 96.58 0.01 3.33 0.08 0.01 0.01 0.00 0.00 96.41 0.17 76 V E E 53.48 9.11 21.12 31.01 121.98 -166.25 -108.79 142.69 31.00 68.97 0.03 12.66 17.36 0.87 0.00 0.04 0.00 68.68 0.39 77 N C S 107.87 3.44 22.45 26.13 92.53 5.92 58.63 49.45 89.57 10.42 0.01 6.96 80.85 1.13 0.00 0.01 0.00 10.91 0.14 78 P C C 17.89 22.57 10.02 31.69 117.57 -165.66 -71.82 145.45 95.24 4.73 0.03 89.49 6.10 0.14 0.01 0.02 0.00 3.57 0.67 79 T C C 59.28 4.91 21.26 26.23 121.87 -130.99 -87.16 160.72 99.74 0.21 0.05 99.01 0.77 0.03 0.03 0.00 0.00 0.07 0.09 80 P H H 85.39 7.00 14.91 23.34 91.05 -106.89 -58.22 -36.31 3.25 0.00 96.75 0.21 0.30 2.63 95.85 1.01 0.00 0.00 0.00 81 Q H H 121.52 1.76 19.42 20.34 91.68 53.54 -64.84 -39.24 1.97 0.00 98.03 0.12 0.13 1.64 96.99 1.12 0.00 0.00 0.00 82 T H H 22.19 15.62 16.01 32.02 92.72 48.32 -66.36 -41.65 0.81 0.00 99.19 0.10 0.06 0.55 98.25 1.04 0.00 0.00 0.00 83 V H H 14.56 20.09 15.17 35.19 91.59 51.42 -62.99 -43.15 0.26 0.00 99.73 0.04 0.02 0.15 99.41 0.38 0.00 0.00 0.00 84 D H H 81.26 3.37 21.88 24.88 91.47 51.13 -63.71 -39.67 0.62 0.00 99.38 0.05 0.03 0.46 98.54 0.92 0.00 0.00 0.00 85 S H H 40.85 6.85 19.49 27.44 91.83 51.97 -64.92 -39.09 1.60 0.00 98.39 0.08 0.06 1.36 96.63 1.86 0.00 0.00 0.00 86 L H H 11.83 22.84 14.34 36.83 92.29 52.81 -65.96 -36.55 3.60 0.01 96.39 0.22 0.20 3.03 93.30 3.24 0.01 0.01 0.00 87 M H H 77.30 13.06 16.89 29.85 92.00 59.04 -69.51 -22.03 33.26 0.20 66.54 1.86 1.58 29.39 63.17 3.70 0.07 0.10 0.12 88 R C T 171.03 1.64 19.79 20.62 95.22 58.72 -85.24 -6.10 66.55 0.42 33.03 4.62 3.11 56.86 31.19 3.77 0.02 0.22 0.22 89 L C C 47.79 16.38 10.17 26.19 117.44 103.11 -81.20 141.32 93.51 2.61 3.88 54.54 33.24 5.64 3.21 0.92 0.00 1.19 1.26 90 D C C 117.43 1.67 20.49 21.67 108.28 -125.37 -87.50 111.60 93.48 5.85 0.68 88.67 2.94 2.01 0.34 0.27 0.00 3.63 2.14 91 L C C 36.79 21.40 9.55 29.22 120.40 -169.36 -101.25 139.22 95.90 4.05 0.05 90.99 5.21 0.08 0.02 0.02 0.00 1.82 1.84 92 P C C 52.24 7.55 16.29 25.50 116.42 -106.98 -65.55 154.03 99.02 0.79 0.20 97.52 1.13 0.55 0.04 0.10 0.00 0.39 0.27 93 S C T 89.57 2.38 15.90 19.43 111.07 -85.99 -62.88 138.40 98.49 0.66 0.85 1.31 6.88 90.40 0.08 0.68 0.00 0.43 0.22 94 G C T 49.13 3.48 17.18 21.57 96.05 24.79 86.13 -4.38 98.21 1.20 0.58 2.63 6.26 89.32 0.04 0.58 0.00 1.07 0.10 95 V C C 23.82 19.69 9.91 29.18 119.94 116.23 -99.78 134.58 68.11 31.73 0.16 62.13 4.68 0.35 0.03 0.15 0.00 31.57 1.10 96 D E E 88.03 3.98 23.03 27.17 115.20 -150.63 -103.63 125.30 22.16 77.77 0.07 21.22 0.70 0.11 0.02 0.05 0.00 77.46 0.44 97 I E E 28.61 22.96 11.59 33.58 124.29 -170.09 -121.30 135.34 10.77 89.22 0.01 10.61 0.15 0.01 0.00 0.00 0.00 89.11 0.12 98 E E E 101.17 4.35 23.69 28.35 122.64 -168.40 -118.40 134.79 4.40 95.60 0.01 4.39 0.06 0.01 0.00 0.00 0.00 95.47 0.07 99 I E E 43.22 20.26 11.58 30.83 120.99 -161.97 -115.23 130.75 5.58 94.42 0.01 5.70 0.06 0.01 0.00 0.00 0.00 94.07 0.16 100 K E E 117.45 3.95 18.42 23.52 122.94 -169.55 -120.20 137.20 13.85 86.14 0.01 14.04 0.13 0.02 0.00 0.01 0.00 85.27 0.52 101 L C C 86.00 11.27 13.27 24.95 114.36 -134.56 -88.73 130.35 96.90 3.10 0.00 96.98 0.07 0.00 0.00 0.00 0.00 2.92 0.02