# 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 N C C 93.98 4.80 13.98 19.78 104.42 48.70 -79.03 69.54 99.86 0.03 0.11 99.69 0.11 0.10 0.07 0.01 0.00 0.01 0.01 1 Q H H 104.96 6.09 11.31 18.65 96.20 91.15 -69.32 -27.84 42.48 0.27 57.25 32.84 1.35 7.71 55.42 2.43 0.00 0.12 0.13 2 E H H 115.46 3.55 12.64 17.53 94.22 64.05 -66.34 -35.98 27.84 0.30 71.86 16.46 3.34 8.27 68.14 3.52 0.01 0.14 0.12 3 R H H 129.71 3.80 14.97 19.70 93.56 54.38 -66.58 -38.15 15.72 0.38 83.89 9.51 2.33 4.72 77.46 5.63 0.01 0.23 0.11 4 V H H 48.63 11.76 14.33 26.73 92.84 52.65 -65.49 -39.95 9.19 0.36 90.44 4.86 1.45 3.50 84.06 5.78 0.01 0.25 0.08 5 F H H 74.46 11.76 15.93 28.21 92.48 52.34 -66.11 -37.24 6.89 0.58 92.52 3.25 1.09 3.07 85.68 6.28 0.01 0.53 0.09 6 K H H 112.19 5.24 19.90 25.88 92.21 54.81 -65.66 -37.55 8.16 1.17 90.67 3.09 1.23 4.37 82.09 7.89 0.05 1.11 0.16 7 V H H 44.01 12.93 18.64 31.87 93.15 50.54 -67.72 -37.94 11.56 2.54 85.90 2.89 1.69 7.41 77.59 7.45 0.17 2.52 0.29 8 L H H 34.41 18.79 18.19 36.45 95.02 50.84 -76.93 -25.45 17.01 11.35 71.65 3.94 2.90 11.30 66.65 4.88 0.45 8.15 1.74 9 L E H 64.72 13.21 20.43 33.20 102.11 62.87 -89.01 15.83 33.59 35.62 30.80 15.31 8.67 11.27 29.12 2.98 0.78 24.05 7.82 10 G C C 22.79 12.44 19.65 32.15 129.20 112.34 -109.61 160.77 71.84 27.70 0.45 41.37 29.66 1.26 0.23 0.22 0.00 25.99 1.26 11 P C C 53.30 13.53 18.99 32.33 114.03 -85.61 -67.54 148.25 63.86 35.61 0.53 55.38 6.64 0.90 0.25 0.28 0.00 32.66 3.89 12 H E E 77.31 14.19 18.87 32.65 113.69 -146.44 -97.95 125.08 46.73 52.74 0.52 37.21 7.35 0.77 0.34 0.30 0.00 40.06 13.96 13 I C C 47.56 17.41 14.66 31.56 123.54 -153.54 -115.07 136.96 67.27 32.35 0.38 58.62 7.50 0.54 0.24 0.21 0.00 25.99 6.91 14 S C C 42.37 7.44 16.80 25.43 125.14 -145.85 -88.19 170.63 92.25 7.15 0.59 86.14 6.11 0.37 0.50 0.15 0.00 5.42 1.32 15 E H H 146.65 2.12 15.66 18.70 91.02 -97.19 -59.58 -37.12 15.19 0.18 84.63 2.00 3.25 10.47 79.37 4.61 0.12 0.08 0.09 16 K H H 135.03 2.15 17.96 20.14 91.80 53.05 -64.86 -38.88 14.10 0.20 85.70 1.90 1.95 10.62 79.51 5.69 0.12 0.12 0.09 17 A H H 13.20 18.39 12.47 30.75 92.34 48.81 -67.22 -38.65 9.98 0.33 89.69 3.04 1.72 5.74 81.77 7.36 0.06 0.22 0.10 18 T H H 53.04 11.96 15.78 28.06 92.13 54.94 -63.48 -40.73 8.55 0.35 91.09 3.12 1.52 4.41 85.10 5.47 0.04 0.23 0.11 19 G H H 44.91 1.72 20.58 20.59 92.35 51.34 -64.53 -39.39 15.29 0.57 84.14 3.43 2.25 10.14 77.69 5.77 0.15 0.37 0.20 20 L H H 62.91 7.69 16.56 25.51 92.95 49.96 -69.01 -36.57 18.18 0.93 80.89 5.10 3.29 10.99 74.27 5.25 0.19 0.58 0.33 21 A H H 20.33 17.55 10.99 27.97 93.53 57.02 -66.83 -36.28 25.59 1.42 72.99 10.34 4.94 12.23 65.87 5.11 0.13 0.84 0.54 22 D H H 112.77 2.42 16.37 19.44 95.92 54.77 -69.57 -23.78 35.27 1.00 63.73 7.65 5.44 23.09 55.10 7.48 0.22 0.57 0.45 23 G H H 58.39 1.34 15.87 16.56 97.90 45.09 -74.24 -20.98 46.85 0.72 52.43 6.24 8.04 32.65 44.13 7.91 0.22 0.36 0.43 24 K C T 116.96 5.86 14.58 21.31 103.95 37.18 -103.72 12.10 73.86 0.79 25.34 9.84 20.16 43.79 19.40 5.80 0.05 0.35 0.61 25 S C T 63.04 8.57 16.46 25.91 96.77 -122.96 48.10 42.39 97.84 1.27 0.88 21.66 19.47 56.75 0.17 0.68 0.00 1.12 0.15 26 Q E E 47.33 14.21 17.45 32.10 127.21 127.11 -115.23 147.30 45.48 54.41 0.11 39.43 4.59 0.34 0.02 0.09 0.00 54.74 0.78 27 F E E 25.48 18.31 20.47 38.83 122.44 -149.31 -111.89 136.85 5.42 94.56 0.02 5.27 0.19 0.02 0.01 0.01 0.00 94.31 0.20 28 V E E 26.67 15.73 23.99 39.90 121.32 -157.32 -113.31 131.07 2.25 97.75 0.00 2.20 0.04 0.00 0.00 0.00 0.00 97.73 0.03 29 F E E 10.25 22.91 20.76 43.43 128.39 -174.09 -125.32 143.05 0.53 99.47 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.50 0.01 30 K E E 70.94 11.72 26.56 38.55 116.55 -140.37 -102.68 127.68 0.23 99.77 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.01 31 V E E 6.24 24.20 16.51 40.90 130.62 -176.73 -127.82 150.00 2.23 97.77 0.00 2.28 0.03 0.00 0.00 0.00 0.00 97.46 0.23 32 A C C 27.22 9.64 21.20 32.30 113.50 -102.49 -67.04 142.44 66.73 33.21 0.06 66.66 0.68 0.10 0.01 0.07 0.00 31.94 0.54 33 T C T 71.38 12.15 15.99 28.63 91.42 -123.28 -62.45 -26.08 98.67 0.72 0.61 0.59 4.19 94.05 0.02 0.60 0.00 0.45 0.09 34 D C T 113.64 1.58 21.15 21.85 93.59 58.49 -88.98 0.07 99.20 0.23 0.57 0.65 3.53 95.00 0.01 0.64 0.00 0.15 0.02 35 A C C 9.45 21.46 9.28 30.39 116.55 122.03 -69.53 141.42 98.96 0.93 0.11 81.14 17.78 0.16 0.03 0.06 0.00 0.39 0.43 36 T C C 66.07 3.25 24.09 26.10 124.89 -138.71 -93.14 164.99 91.71 8.15 0.14 91.49 0.63 0.03 0.11 0.01 0.00 1.04 6.70 37 K H H 90.93 14.98 14.46 29.03 91.04 -105.50 -57.78 -39.08 0.79 0.00 99.21 0.10 0.09 0.45 99.29 0.08 0.00 0.00 0.00 38 L H H 104.15 2.23 21.81 23.10 91.49 52.43 -63.71 -40.57 0.29 0.00 99.71 0.02 0.02 0.19 99.70 0.06 0.00 0.00 0.00 39 E H H 65.01 9.15 20.38 30.29 91.80 49.12 -65.35 -40.76 0.08 0.00 99.92 0.01 0.00 0.05 99.89 0.05 0.00 0.00 0.00 40 I H H 1.99 26.77 15.39 42.97 91.00 49.61 -63.48 -43.73 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 41 K H H 77.33 14.08 21.69 34.79 91.33 51.31 -61.89 -42.07 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 42 K H H 118.33 2.36 26.10 27.33 91.71 49.93 -64.57 -41.60 0.05 0.00 99.95 0.00 0.00 0.04 99.96 0.00 0.00 0.00 0.00 43 A H H 10.66 15.31 20.88 37.05 91.68 50.06 -63.99 -43.10 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.00 0.00 0.00 0.00 44 V H H 1.92 26.46 17.00 44.03 91.62 48.14 -64.52 -43.23 0.07 0.00 99.93 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 45 E H H 75.18 10.95 19.34 30.51 91.85 51.25 -63.84 -40.63 0.08 0.00 99.92 0.00 0.00 0.06 99.90 0.04 0.00 0.00 0.00 46 S H H 73.32 2.71 21.80 24.05 92.53 49.84 -67.26 -38.73 0.30 0.00 99.70 0.01 0.01 0.30 99.59 0.10 0.00 0.00 0.00 47 L H H 45.29 15.15 17.17 31.99 96.07 42.09 -77.75 -37.20 1.36 0.00 98.64 0.02 0.04 1.34 98.51 0.10 0.00 0.00 0.00 48 F H H 29.31 19.17 14.42 33.29 105.10 25.74 -112.94 1.25 14.41 0.03 85.56 0.76 1.69 11.37 85.85 0.27 0.02 0.01 0.03 49 S C T 87.63 2.12 21.55 23.45 95.38 -124.55 55.12 43.91 99.75 0.08 0.17 21.13 10.60 68.08 0.07 0.06 0.00 0.05 0.02 50 V C C 19.47 19.57 11.45 30.98 129.82 134.39 -121.11 150.96 95.26 4.71 0.03 78.94 16.18 0.20 0.01 0.02 0.00 4.32 0.32 51 K C C 125.57 3.02 24.40 27.08 113.07 -127.58 -91.11 127.91 89.23 10.76 0.01 88.84 0.71 0.04 0.00 0.01 0.00 10.21 0.19 52 V E E 18.77 23.47 10.09 32.80 113.26 -144.77 -88.69 123.74 26.83 73.15 0.03 28.39 0.22 0.02 0.01 0.01 0.00 70.21 1.14 53 Q E E 106.42 3.27 21.13 24.58 98.65 -177.26 -87.08 -35.22 27.54 72.43 0.03 13.80 13.87 0.33 0.00 0.03 0.00 71.82 0.16 54 R E E 114.69 3.94 23.24 27.78 138.69 -1.09 -153.83 151.61 5.37 94.62 0.01 3.62 1.23 0.09 0.00 0.01 0.00 95.00 0.04 55 V E E 31.21 23.02 11.50 33.34 124.74 -162.30 -129.54 130.59 2.05 97.95 0.00 1.84 0.06 0.00 0.00 0.00 0.00 98.08 0.02 56 T E E 59.11 5.55 24.16 29.94 128.12 -174.94 -127.79 142.55 1.57 98.43 0.00 1.37 0.05 0.00 0.00 0.00 0.00 98.57 0.01 57 T E E 46.45 18.47 13.62 31.29 124.02 -157.01 -117.32 134.99 1.02 98.97 0.00 0.96 0.02 0.00 0.00 0.00 0.00 99.01 0.01 58 L E E 65.71 7.83 19.02 28.13 125.72 -171.82 -124.26 139.24 0.81 99.19 0.00 0.74 0.02 0.00 0.00 0.00 0.00 99.20 0.03 59 N E E 83.74 9.29 15.65 26.17 115.67 -142.56 -98.88 125.02 3.16 96.84 0.00 2.67 0.22 0.01 0.00 0.00 0.00 97.04 0.06 60 V E E 49.66 11.17 13.24 25.91 121.15 -170.03 -116.56 131.66 16.56 83.41 0.03 15.80 0.61 0.05 0.01 0.02 0.00 82.92 0.60 61 K E E 142.88 2.72 16.69 20.44 112.83 -124.61 -85.38 133.78 47.18 52.70 0.12 39.80 5.25 0.70 0.02 0.09 0.00 53.59 0.54 62 G E E 29.57 11.82 10.20 22.20 125.51 -136.32 -99.75 165.70 48.69 51.19 0.12 38.64 8.48 1.04 0.01 0.11 0.00 51.06 0.67 63 K E E 125.85 3.12 15.60 19.79 123.78 -98.43 -110.53 147.39 20.45 79.47 0.08 19.04 1.19 0.14 0.02 0.04 0.00 78.55 1.00 64 T E E 84.64 6.86 10.27 18.96 117.79 -129.64 -95.99 133.69 10.73 89.23 0.04 10.25 0.45 0.05 0.01 0.02 0.00 88.75 0.47 65 K E E 108.17 4.38 11.17 17.64 124.13 -171.49 -122.88 141.61 6.45 93.50 0.04 5.67 0.51 0.07 0.01 0.02 0.00 93.47 0.24 66 R E E 173.73 1.98 9.51 13.38 115.14 -133.15 -92.26 128.43 11.76 88.18 0.06 10.23 1.03 0.15 0.02 0.03 0.00 88.01 0.54 67 T E E 65.28 4.07 7.83 14.08 129.16 174.35 -125.70 169.51 45.43 54.44 0.13 41.24 2.40 0.38 0.03 0.09 0.00 55.07 0.79 68 A C T 106.37 0.31 9.16 8.37 92.93 -88.82 -61.57 -29.72 98.71 0.82 0.47 9.78 33.87 55.09 0.05 0.43 0.00 0.67 0.11 69 R C T 195.00 0.54 8.83 8.95 99.36 39.48 -95.71 0.15 98.86 0.68 0.47 9.33 32.48 57.04 0.04 0.46 0.00 0.54 0.10 70 G E E 37.33 2.21 12.29 15.63 135.33 -68.65 140.09 -176.31 36.91 62.96 0.13 27.29 9.32 1.08 0.03 0.13 0.00 61.26 0.90 71 L E E 117.26 3.86 9.64 15.60 121.03 -56.40 -102.12 142.48 15.24 84.74 0.03 13.53 0.92 0.11 0.01 0.01 0.00 85.08 0.33 72 G E E 31.34 5.26 12.59 19.74 135.74 168.88 -153.07 173.75 5.79 94.19 0.02 4.76 0.64 0.08 0.00 0.01 0.00 94.39 0.12 73 K E E 129.81 4.96 13.05 20.20 123.44 -101.38 -111.52 144.07 4.46 95.53 0.01 4.04 0.28 0.02 0.00 0.01 0.00 94.78 0.87 74 R E E 90.50 10.65 11.11 22.82 123.17 -159.89 -114.42 145.18 40.43 59.51 0.06 38.90 1.11 0.11 0.01 0.04 0.00 58.97 0.86 75 N C C 99.53 4.36 15.88 21.39 113.43 -117.44 -82.24 144.70 72.30 27.59 0.11 49.61 18.10 2.69 0.01 0.13 0.00 29.04 0.42 76 D C C 76.39 8.70 15.17 24.52 103.78 -104.51 -82.75 56.29 71.89 27.99 0.11 42.23 24.44 3.10 0.01 0.15 0.00 29.72 0.36 77 W E E 72.42 12.41 15.74 29.17 125.13 141.07 -111.58 146.45 24.39 75.60 0.01 22.51 1.24 0.05 0.00 0.01 0.00 75.70 0.49 78 K E E 44.05 15.27 18.00 33.70 125.67 -158.58 -119.19 142.12 3.43 96.56 0.00 3.12 0.11 0.00 0.00 0.00 0.00 96.68 0.08 79 K E E 59.95 13.28 22.33 35.65 125.54 -157.07 -117.01 140.09 0.62 99.38 0.00 0.57 0.01 0.00 0.00 0.00 0.00 99.41 0.01 80 A E E 6.06 22.02 18.25 40.80 124.99 -165.62 -119.66 140.17 0.30 99.70 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.70 0.00 81 Y E E 57.20 11.83 25.16 37.63 119.38 -154.20 -109.91 129.33 0.15 99.85 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 82 I E E 7.69 23.71 18.95 43.07 121.87 -167.44 -117.55 131.01 0.30 99.70 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.70 0.00 83 A E E 31.65 10.73 25.99 37.25 121.72 -162.59 -111.16 135.34 1.29 98.71 0.00 1.27 0.02 0.00 0.00 0.00 0.00 98.67 0.04 84 L E E 13.05 22.29 13.81 36.13 122.00 -153.62 -101.85 142.93 14.46 85.53 0.00 14.47 0.27 0.01 0.00 0.00 0.00 83.81 1.44 85 Q C C 81.94 5.86 19.57 26.06 118.32 -114.92 -73.36 153.84 96.41 3.55 0.04 95.62 0.90 0.09 0.01 0.02 0.00 3.15 0.21 86 P C T 101.09 4.47 14.89 21.14 110.12 -84.30 -59.72 137.31 97.94 1.43 0.64 1.21 5.63 91.36 0.03 0.63 0.00 0.94 0.21 87 G C T 59.71 1.47 15.82 17.13 97.88 22.12 87.81 -4.07 97.93 1.49 0.58 2.46 5.04 90.45 0.02 0.68 0.00 1.23 0.11 88 Q C C 68.69 12.31 10.19 22.97 116.85 130.86 -80.43 140.82 83.86 15.61 0.53 78.76 4.13 0.71 0.08 0.51 0.00 14.32 1.49 89 D C C 101.28 3.50 16.72 21.82 119.45 -155.90 -108.84 136.37 53.48 46.18 0.34 51.63 1.30 0.39 0.16 0.18 0.00 30.86 15.49 90 L C C 53.94 16.86 8.95 24.69 107.11 -158.72 -94.94 76.85 86.48 13.35 0.18 86.47 0.52 0.33 0.07 0.07 0.00 11.40 1.15 91 D C C 113.18 2.35 17.47 20.35 105.49 -150.27 -78.54 89.23 99.85 0.14 0.01 99.73 0.11 0.05 0.00 0.00 0.00 0.09 0.01