# 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 107.17 6.38 14.29 21.87 113.95 -161.63 -92.91 130.78 99.94 0.06 0.00 99.90 0.05 0.01 0.00 0.00 0.00 0.03 0.00 1 E C C 94.22 9.29 13.33 23.60 116.48 -142.66 -96.02 136.09 71.62 28.29 0.09 70.69 0.58 0.27 0.01 0.05 0.00 27.53 0.86 2 H E E 70.85 11.38 15.89 28.22 120.68 -154.27 -107.13 134.52 24.00 75.95 0.05 19.44 3.68 0.24 0.01 0.05 0.00 76.22 0.37 3 L E E 41.87 13.89 18.66 33.32 122.32 -159.22 -113.42 134.56 3.13 96.86 0.00 2.81 0.15 0.01 0.00 0.00 0.00 96.98 0.04 4 Y E E 22.46 18.80 20.18 39.25 125.66 -167.30 -121.74 138.11 0.39 99.61 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.62 0.00 5 I E E 18.97 18.45 25.06 43.37 117.18 -154.18 -107.81 124.48 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 6 V E E 4.86 23.87 24.60 48.03 118.96 -164.95 -110.93 126.33 0.18 99.81 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 7 S E E 9.93 20.74 25.46 45.05 128.86 -174.19 -124.80 144.41 1.03 98.97 0.00 0.92 0.03 0.00 0.00 0.00 0.00 99.02 0.02 8 Y E E 16.77 21.66 22.47 43.46 135.97 -168.86 -140.20 153.99 12.00 88.00 0.01 10.89 0.62 0.04 0.00 0.01 0.00 88.21 0.24 9 D C E 48.54 11.29 25.68 37.43 109.67 -126.41 -89.87 113.68 50.23 49.73 0.04 45.38 3.20 0.21 0.01 0.04 0.00 50.60 0.57 10 I C C 12.91 22.51 13.43 35.86 113.77 -171.31 -107.85 122.71 83.18 16.53 0.29 81.64 1.63 0.52 0.10 0.16 0.00 13.67 2.29 11 R C C 146.85 4.27 19.65 24.93 97.86 -175.99 -94.48 -15.39 99.48 0.36 0.15 61.40 36.86 1.30 0.05 0.09 0.00 0.16 0.14 12 N C C 72.06 6.05 15.02 22.77 110.16 88.14 -91.34 114.76 99.41 0.21 0.38 70.25 28.69 0.45 0.29 0.07 0.00 0.05 0.19 13 Q H H 115.29 5.29 13.06 20.64 92.71 -155.38 -61.85 -34.47 4.04 0.01 95.95 0.66 0.65 2.47 94.80 1.40 0.00 0.00 0.00 14 R H H 157.03 1.32 17.87 18.10 91.73 54.51 -63.88 -40.66 2.39 0.00 97.61 0.24 0.24 1.77 95.99 1.75 0.01 0.00 0.00 15 R H H 53.66 12.68 15.54 29.06 92.13 48.14 -66.00 -40.68 1.01 0.00 98.98 0.18 0.10 0.63 97.25 1.84 0.00 0.00 0.00 16 W H H 37.14 19.27 14.55 33.47 91.42 52.08 -62.26 -42.66 0.28 0.00 99.72 0.05 0.02 0.14 99.56 0.23 0.00 0.00 0.00 17 R H H 123.15 3.60 22.56 26.00 91.50 50.90 -63.48 -41.46 0.16 0.00 99.84 0.02 0.01 0.08 99.85 0.04 0.00 0.00 0.00 18 R H H 102.97 5.29 22.86 28.35 91.57 50.21 -64.22 -41.83 0.12 0.00 99.88 0.01 0.00 0.07 99.88 0.04 0.00 0.00 0.00 19 L H H 2.85 25.25 17.39 43.07 91.28 49.49 -63.27 -43.94 0.14 0.00 99.86 0.01 0.01 0.08 99.86 0.04 0.00 0.00 0.00 20 F H H 44.78 17.58 19.80 36.61 91.33 51.12 -62.17 -42.19 0.16 0.00 99.84 0.01 0.01 0.10 99.82 0.06 0.00 0.00 0.00 21 K H H 130.16 1.76 24.69 24.87 91.57 50.64 -63.81 -41.00 0.58 0.00 99.42 0.03 0.02 0.49 99.16 0.31 0.00 0.00 0.00 22 T H H 32.73 12.52 19.94 33.00 92.23 48.68 -66.56 -40.04 1.66 0.00 98.34 0.03 0.05 1.67 97.72 0.52 0.00 0.00 0.00 23 M H H 3.12 26.17 13.37 40.11 93.49 45.46 -79.54 -21.76 8.25 0.04 91.72 0.38 0.52 7.54 89.62 1.87 0.03 0.01 0.02 24 H H H 113.67 9.91 17.36 28.08 99.96 91.27 -61.09 45.74 34.13 0.29 65.58 1.40 1.42 31.62 36.02 29.12 0.07 0.17 0.17 25 G C T 58.62 1.61 20.65 21.42 95.62 38.22 -8.30 -5.89 52.52 0.16 47.32 1.06 1.85 52.31 19.27 25.29 0.02 0.09 0.12 26 F C T 68.27 14.05 15.51 29.52 102.80 47.81 -103.86 -12.87 60.41 0.86 38.72 3.73 9.51 47.73 10.42 27.51 0.07 0.49 0.54 27 G C E 16.40 11.96 17.90 30.65 144.57 -39.57 158.41 -169.55 60.60 38.94 0.46 23.78 26.44 11.26 0.08 0.41 0.00 36.91 1.12 28 C E E 67.36 6.25 20.82 27.93 124.72 -74.70 -116.16 142.43 10.89 89.08 0.03 9.78 0.77 0.08 0.01 0.02 0.00 88.96 0.40 29 W E E 112.05 13.56 13.39 27.13 111.10 -123.05 -84.38 124.62 2.97 97.01 0.01 2.85 0.11 0.02 0.00 0.00 0.00 96.44 0.57 30 L E E 83.18 7.17 15.67 24.29 101.65 176.54 -93.72 -33.61 15.04 84.91 0.05 12.30 1.93 0.21 0.01 0.04 0.00 85.23 0.27 31 Q E E 88.00 4.52 17.54 22.92 135.46 -3.91 -150.17 158.42 25.33 74.46 0.21 9.90 11.71 4.60 0.04 0.22 0.00 71.92 1.60 32 L C T 113.69 5.07 17.89 23.85 96.56 -65.78 -15.22 -37.81 99.46 0.33 0.22 1.51 18.32 79.66 0.01 0.23 0.00 0.22 0.06 33 S C T 30.55 16.59 15.17 31.29 100.32 17.16 -112.05 6.80 99.47 0.38 0.15 1.30 15.94 82.26 0.00 0.16 0.00 0.30 0.04 34 V E E 28.64 13.94 19.26 34.59 123.71 86.97 -117.73 133.36 4.04 95.96 0.00 3.34 0.48 0.02 0.00 0.00 0.00 95.78 0.38 35 F E E 12.55 20.53 18.78 39.65 131.02 -175.29 -126.50 148.64 0.42 99.58 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.56 0.02 36 Q E E 43.56 12.87 24.48 37.78 123.42 -154.89 -117.06 136.62 0.46 99.54 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.54 0.01 37 C E E 8.59 21.23 17.37 38.73 133.78 175.16 -136.21 152.46 1.14 98.86 0.00 1.09 0.02 0.00 0.00 0.00 0.00 98.85 0.03 38 R E E 118.13 6.35 24.35 31.17 111.97 -128.67 -91.37 120.77 4.19 95.81 0.00 3.97 0.18 0.01 0.00 0.00 0.00 95.63 0.21 39 L E E 17.36 21.86 10.66 31.72 128.88 173.54 -122.64 150.64 37.87 62.11 0.02 37.55 0.64 0.02 0.01 0.01 0.00 60.01 1.76 40 D C C 74.66 2.79 20.00 21.97 120.83 -120.88 -82.70 165.36 93.16 6.81 0.03 93.65 0.34 0.02 0.02 0.01 0.00 5.70 0.26 41 R H H 158.18 4.02 13.87 19.74 92.03 -99.49 -59.52 -37.37 2.34 0.01 97.65 0.50 0.27 1.40 97.50 0.33 0.00 0.00 0.00 42 I H H 112.60 1.46 17.02 17.42 92.15 52.04 -64.62 -41.08 0.71 0.00 99.29 0.07 0.04 0.50 99.10 0.28 0.00 0.00 0.00 43 R H H 80.06 10.83 15.74 27.35 92.13 48.50 -66.00 -40.19 0.18 0.00 99.82 0.02 0.01 0.11 99.62 0.23 0.00 0.00 0.00 44 I H H 28.14 17.88 14.07 31.86 91.54 51.91 -62.50 -42.72 0.05 0.00 99.95 0.01 0.00 0.03 99.94 0.03 0.00 0.00 0.00 45 I H H 89.36 3.07 21.17 23.86 91.36 49.99 -63.47 -41.70 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 46 K H H 107.74 3.43 21.97 25.19 91.66 49.47 -64.17 -41.39 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 47 M H H 7.19 22.63 16.59 39.40 91.79 49.68 -63.87 -43.10 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 48 E H H 57.67 16.02 19.97 35.09 91.37 51.38 -61.94 -41.94 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.01 0.00 0.00 0.00 49 A H H 57.84 2.24 23.50 24.12 91.54 50.38 -63.88 -41.13 0.26 0.00 99.74 0.02 0.01 0.19 99.73 0.05 0.00 0.00 0.00 50 A H H 28.14 9.79 19.90 30.95 91.88 49.69 -65.52 -40.09 0.98 0.00 99.02 0.06 0.04 0.82 98.85 0.24 0.00 0.00 0.00 51 I H H 3.02 26.44 13.82 40.72 91.57 51.06 -65.19 -39.35 1.03 0.00 98.97 0.07 0.05 0.82 97.35 1.71 0.00 0.00 0.00 52 N H H 84.85 10.44 18.11 28.93 90.75 60.49 -63.71 -30.82 5.22 0.00 94.77 0.15 0.14 5.03 89.36 5.31 0.00 0.00 0.00 53 E H H 142.40 1.44 21.86 21.93 91.88 55.69 -73.67 -22.81 26.35 0.01 73.64 0.24 0.45 27.09 68.28 3.92 0.01 0.00 0.01 54 I H H 46.48 14.23 16.60 30.96 99.97 40.25 -96.28 -23.04 31.19 0.03 68.78 0.48 1.49 29.31 66.73 1.95 0.02 0.01 0.02 55 V C S 12.98 23.62 10.40 33.12 123.69 69.83 -107.19 144.58 96.34 1.37 2.29 39.52 55.10 1.02 2.47 0.19 0.00 0.19 1.50 56 N C C 77.39 4.89 19.98 25.39 106.69 -129.69 -85.54 110.08 99.47 0.33 0.20 98.73 0.57 0.27 0.09 0.03 0.00 0.10 0.20 57 H C T 105.42 12.02 11.76 24.33 93.12 -155.67 -63.50 -25.64 87.18 0.55 12.28 3.18 6.79 76.44 1.00 11.91 0.00 0.28 0.40 58 A C T 90.75 1.26 18.11 18.47 92.48 59.21 -74.65 -21.69 89.60 0.09 10.30 0.40 3.21 86.53 0.39 9.37 0.00 0.04 0.05 59 E C T 99.24 6.19 16.79 23.86 104.05 28.61 -109.00 -16.41 91.40 0.24 8.35 2.10 5.96 82.50 0.37 8.83 0.00 0.14 0.10 60 D C C 16.14 20.71 12.24 32.40 136.57 49.43 -132.21 159.22 81.72 18.20 0.07 75.19 5.75 0.26 0.01 0.06 0.00 18.12 0.61 61 H E E 73.34 8.45 25.30 34.32 126.18 -152.73 -122.69 142.19 5.06 94.93 0.01 4.82 0.18 0.01 0.00 0.00 0.00 94.81 0.17 62 V E E 15.41 23.79 16.91 40.50 121.89 -156.52 -117.98 130.07 0.26 99.74 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.00 63 L E E 45.60 10.96 25.31 36.76 122.51 -169.21 -119.16 131.70 0.08 99.92 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 64 I E E 36.10 19.69 19.32 38.22 118.33 -160.00 -108.19 125.37 0.09 99.91 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 65 L E E 40.20 13.00 20.75 34.53 121.53 -169.66 -117.59 129.04 1.13 98.87 0.00 1.07 0.03 0.00 0.00 0.00 0.00 98.86 0.03 66 D E E 68.28 10.36 20.46 31.21 110.85 -134.18 -84.98 119.53 16.54 83.43 0.03 15.23 0.75 0.06 0.00 0.02 0.00 83.70 0.24 67 L C C 46.49 15.69 14.77 30.64 102.43 -172.72 -97.58 5.61 75.53 24.13 0.35 54.90 17.74 2.21 0.07 0.31 0.00 23.55 1.22 68 G C S 27.88 7.28 16.58 24.95 130.24 -119.84 113.64 -177.27 88.95 10.29 0.76 37.27 46.86 5.48 0.15 0.66 0.00 7.46 2.11 69 P C C 89.32 3.77 15.34 19.95 111.49 -38.12 -71.10 145.67 92.02 4.00 3.97 54.49 24.20 13.22 0.79 3.48 0.00 2.36 1.46 70 A C C 60.21 8.80 8.98 18.69 111.35 -129.52 -84.92 129.34 85.14 2.41 12.45 49.02 16.90 18.57 2.25 10.79 0.00 1.17 1.30 71 E C C 151.81 1.59 12.05 14.24 100.17 69.89 -78.54 -12.54 87.33 1.20 11.47 37.47 19.63 30.16 1.94 9.56 0.00 0.57 0.67 72 N C C 122.70 1.87 12.28 14.83 102.12 32.98 -92.42 26.30 88.94 1.85 9.20 41.80 18.86 28.01 1.47 8.09 0.00 0.96 0.80 73 V C C 73.05 9.90 7.96 18.54 116.26 123.92 -97.69 135.81 90.40 5.48 4.12 60.38 24.67 5.12 1.41 2.72 0.00 2.65 3.04 74 K C C 141.57 2.61 14.46 18.21 116.45 -135.50 -93.18 136.92 91.08 4.64 4.28 59.95 27.02 4.40 0.99 3.37 0.00 3.06 1.22 75 P C C 78.99 8.83 12.22 22.05 113.63 -104.11 -69.40 143.17 88.28 6.01 5.71 71.53 10.47 5.85 0.93 5.32 0.00 5.14 0.74 76 K C C 113.25 7.00 14.54 22.73 116.33 -150.61 -103.84 128.91 63.29 29.09 7.61 46.90 11.10 5.36 1.36 6.01 0.00 27.79 1.47 77 V E E 62.06 12.92 11.91 25.24 121.97 -156.38 -114.82 132.47 23.74 75.03 1.23 20.68 2.56 0.76 0.49 0.60 0.00 74.15 0.76 78 S E E 58.35 7.09 16.60 24.99 124.54 -171.30 -121.29 141.16 6.28 93.16 0.55 5.39 0.65 0.25 0.27 0.19 0.00 92.92 0.34 79 S E E 50.05 10.54 13.73 25.19 128.94 -171.01 -130.81 145.59 5.37 94.30 0.33 4.66 0.53 0.21 0.19 0.12 0.00 93.53 0.77 80 I E E 86.18 9.24 12.98 23.29 116.35 -148.71 -107.08 124.50 22.61 76.50 0.89 7.94 7.24 9.83 0.21 0.65 0.00 72.97 1.16 81 G C S 49.87 3.87 14.86 19.62 106.86 3.66 86.14 -22.75 87.89 11.70 0.40 7.96 52.26 27.16 0.03 0.37 0.00 11.72 0.51 82 K C S 129.42 3.45 13.05 18.04 122.13 28.74 -107.27 145.58 88.31 11.37 0.31 37.08 49.55 2.19 0.06 0.29 0.00 9.34 1.49 83 T C C 100.93 3.37 12.47 17.60 113.10 -111.75 -77.97 137.24 91.47 8.20 0.33 81.33 8.73 1.21 0.09 0.29 0.00 6.44 1.91 84 F C C 100.39 10.36 8.02 18.95 118.56 -143.71 -96.70 139.25 94.24 5.29 0.47 80.55 12.50 1.09 0.17 0.33 0.00 2.83 2.52 85 D C C 110.86 2.00 13.60 16.50 115.16 -136.49 -96.66 133.77 97.29 2.04 0.67 84.97 11.72 0.75 0.27 0.36 0.00 1.24 0.71 86 P C C 94.33 5.13 10.22 17.15 111.42 -112.59 -70.03 140.59 88.05 2.53 9.42 75.56 8.13 4.74 2.93 6.15 0.00 1.73 0.76 87 I C C 103.11 5.96 9.08 16.68 114.93 -144.66 -95.90 130.19 80.44 5.83 13.73 63.53 10.33 6.45 4.67 9.29 0.00 3.92 1.81 88 L C C 118.61 3.28 10.27 15.32 114.82 -146.95 -97.63 127.06 77.30 8.76 13.94 61.29 10.33 5.77 5.03 8.98 0.01 6.40 2.19 89 R C C 151.42 4.54 9.75 16.30 116.68 -163.20 -101.77 135.05 79.90 9.89 10.20 60.57 13.13 6.48 4.05 5.93 0.01 8.02 1.81 90 Q C C 130.48 2.63 12.22 16.15 116.54 -138.33 -99.58 135.15 79.21 14.43 6.36 56.44 15.29 7.40 2.18 3.87 0.01 13.39 1.42 91 A C C 61.59 8.33 8.63 18.05 118.04 -133.70 -94.98 140.20 69.43 26.55 4.02 52.36 11.68 4.33 1.22 2.39 0.01 26.83 1.18 92 V E E 91.08 4.76 12.13 18.64 119.36 -157.85 -112.16 130.98 33.91 64.08 2.01 28.68 4.16 1.33 1.17 0.93 0.00 61.30 2.42 93 I E E 97.04 7.21 11.13 20.02 114.60 -148.04 -98.35 123.46 28.75 70.69 0.56 27.94 0.74 0.32 0.37 0.21 0.00 67.50 2.91 94 V C C 72.95 8.70 13.53 23.47 113.32 -165.67 -101.46 119.66 95.53 4.45 0.02 95.77 0.10 0.02 0.01 0.00 0.00 4.03 0.07