# 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 112.81 6.03 10.90 18.51 116.89 -156.10 -95.22 134.87 99.92 0.07 0.01 99.87 0.06 0.03 0.00 0.00 0.00 0.03 0.01 1 S C C 76.17 3.42 9.68 14.90 115.98 -146.03 -91.86 146.51 91.07 2.62 6.31 85.09 1.51 5.36 3.56 1.79 0.00 1.35 1.33 2 E C C 139.05 2.81 9.16 13.68 105.16 -137.82 -83.49 22.91 79.44 2.53 18.03 47.67 16.05 15.94 10.69 7.13 0.01 1.29 1.23 3 S C C 78.37 3.21 9.91 14.71 104.24 79.45 -85.95 26.83 70.98 1.76 27.26 40.18 15.49 15.46 17.40 9.72 0.01 0.86 0.89 4 S C C 71.42 4.45 10.41 16.44 103.93 86.75 -82.58 3.09 63.45 1.93 34.62 38.45 12.67 12.25 24.09 10.66 0.02 0.97 0.89 5 D C C 92.02 4.11 11.82 17.37 104.06 83.07 -84.03 30.37 58.30 2.75 38.95 37.45 10.88 10.27 28.62 10.18 0.02 1.50 1.08 6 I C H 91.82 7.12 10.75 19.10 99.44 80.36 -77.13 -21.29 50.04 4.70 45.26 31.98 9.21 9.60 32.01 12.71 0.06 2.75 1.70 7 S C C 66.43 5.59 12.16 19.16 97.71 70.54 -72.33 -25.09 51.42 5.09 43.49 30.92 8.98 11.61 28.51 15.03 0.06 3.29 1.60 8 A C C 73.83 4.00 12.67 17.91 98.11 64.20 -77.95 -14.14 59.05 5.51 35.43 29.62 12.72 17.28 21.45 13.57 0.13 3.39 1.85 9 M C C 108.31 6.46 11.73 19.55 104.08 73.87 -88.58 11.97 70.47 6.87 22.67 37.70 18.56 14.89 13.43 8.75 0.11 3.74 2.81 10 Q C C 110.94 4.72 13.49 19.91 116.97 111.38 -96.62 134.40 94.05 4.99 0.97 50.88 42.67 1.34 0.57 0.37 0.00 2.82 1.35 11 P C C 80.78 7.93 13.10 22.45 114.56 -107.14 -66.84 145.49 91.76 6.89 1.35 79.25 9.95 2.60 0.62 0.69 0.00 4.69 2.20 12 V C C 70.81 10.95 12.89 24.65 116.42 -141.16 -97.49 135.32 86.20 12.63 1.17 71.39 12.20 1.46 0.72 0.50 0.00 4.94 8.80 13 N C C 89.09 5.86 17.96 24.81 107.66 -132.04 -97.75 105.26 97.36 2.01 0.64 87.91 8.93 0.73 0.45 0.18 0.00 1.14 0.65 14 P C C 32.66 17.88 12.69 30.50 94.22 -168.11 -67.87 -21.49 67.74 1.08 31.18 47.44 10.04 7.82 31.89 1.85 0.00 0.45 0.50 15 K H H 90.98 11.34 15.70 27.45 92.84 74.73 -61.36 -41.06 11.50 0.06 88.44 5.17 2.02 4.62 85.28 2.87 0.00 0.03 0.03 16 P H H 74.75 2.82 19.06 21.62 92.17 51.85 -64.02 -38.22 5.49 0.06 94.45 1.71 0.56 3.03 88.25 6.39 0.01 0.04 0.02 17 F H H 62.28 11.96 16.90 29.52 92.67 50.61 -66.06 -39.68 3.06 0.03 96.90 0.67 0.28 1.85 89.68 7.48 0.00 0.02 0.01 18 L H H 11.99 23.35 13.61 36.39 92.45 50.66 -66.03 -37.62 3.61 0.03 96.35 0.65 0.32 2.34 89.45 7.20 0.00 0.02 0.01 19 K H H 127.13 5.36 19.20 26.01 91.77 59.17 -63.11 -33.81 11.65 0.06 88.29 0.78 0.64 9.51 76.03 12.94 0.03 0.04 0.03 20 G H H 47.55 3.42 20.79 24.19 92.31 53.52 -70.97 -18.66 36.53 0.05 63.41 0.88 1.17 34.69 53.56 9.61 0.02 0.02 0.04 21 L C T 20.26 19.33 13.89 33.37 95.49 53.78 -94.45 -6.98 63.61 0.39 36.01 9.30 3.81 50.25 26.02 10.12 0.02 0.20 0.29 22 V C T 55.38 13.75 13.87 28.27 113.42 116.44 -65.03 134.38 97.09 1.42 1.49 1.53 2.28 93.81 0.54 0.45 0.00 0.60 0.80 23 N C T 118.57 2.75 20.45 23.62 92.16 13.30 71.95 10.95 99.48 0.25 0.27 0.49 3.22 95.91 0.03 0.14 0.00 0.19 0.02 24 H C C 83.33 8.83 17.80 27.75 125.96 115.63 -105.31 151.56 97.31 2.65 0.04 50.48 46.71 0.29 0.01 0.03 0.00 2.33 0.16 25 R E E 125.18 7.82 21.28 29.77 112.60 -110.25 -76.28 133.22 12.64 87.32 0.04 12.64 0.32 0.03 0.02 0.02 0.00 85.87 1.11 26 V E E 6.53 23.46 15.67 39.45 132.22 -176.85 -133.21 148.78 2.20 97.79 0.01 2.07 0.08 0.00 0.00 0.00 0.00 97.78 0.06 27 G E E 15.21 11.61 25.13 37.64 119.26 -134.86 -101.99 134.68 0.69 99.31 0.00 0.60 0.03 0.00 0.00 0.00 0.00 99.34 0.02 28 V E E 5.22 24.42 18.82 43.59 126.15 -167.91 -122.89 137.48 0.70 99.29 0.01 0.62 0.03 0.00 0.00 0.00 0.00 99.32 0.01 29 K E E 75.02 9.41 24.40 34.26 115.96 -141.92 -102.06 127.15 2.27 97.70 0.03 2.04 0.10 0.01 0.01 0.01 0.00 97.76 0.07 30 L E E 13.20 20.74 13.05 34.07 114.15 -145.22 -89.96 129.82 24.02 75.57 0.41 21.84 1.44 0.34 0.12 0.21 0.00 75.42 0.64 31 K C T 111.23 6.34 17.65 24.97 98.25 -145.66 -72.89 -22.35 71.41 16.16 12.42 15.63 17.07 39.87 0.98 10.85 0.02 14.54 1.04 32 F C T 119.67 5.60 14.76 21.48 99.21 53.49 -79.73 -13.05 80.79 5.51 13.70 15.09 18.37 47.58 1.19 12.67 0.01 3.98 1.11 33 N C T 84.46 6.50 13.95 21.44 104.90 28.93 -94.21 15.23 91.14 0.97 7.90 25.67 19.88 44.73 0.65 8.17 0.00 0.56 0.34 34 S C T 80.94 4.17 16.14 21.39 95.94 -119.54 55.36 31.98 97.36 1.67 0.97 33.02 18.59 45.68 0.10 1.00 0.00 1.42 0.19 35 T C E 34.49 12.69 14.01 28.06 119.60 147.69 -92.47 142.68 52.90 47.00 0.10 47.34 2.77 0.31 0.01 0.08 0.00 49.16 0.32 36 E E E 76.25 10.86 20.84 32.07 123.47 -155.22 -115.39 138.33 4.48 95.52 0.01 4.09 0.20 0.01 0.00 0.00 0.00 95.63 0.07 37 Y E E 15.23 22.14 17.70 39.95 128.11 -171.91 -124.82 143.69 0.31 99.69 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.73 0.00 38 R E E 91.34 10.63 26.05 36.89 123.14 -155.66 -115.44 135.79 0.27 99.73 0.00 0.21 0.01 0.00 0.00 0.00 0.00 99.78 0.00 39 G E E 3.78 19.75 21.53 41.37 143.84 135.52 -165.59 -175.34 0.49 99.51 0.00 0.38 0.03 0.00 0.00 0.00 0.00 99.59 0.00 40 T E E 35.88 10.82 26.69 38.81 125.38 -89.14 -121.37 141.49 0.28 99.72 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.00 41 L E E 8.48 24.24 16.64 41.76 109.37 -113.66 -74.12 125.88 0.37 99.63 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.65 0.01 42 V E E 56.31 8.66 23.48 33.09 101.00 174.60 -98.92 -30.41 1.14 98.85 0.01 0.79 0.17 0.01 0.00 0.00 0.00 99.02 0.01 43 S E E 40.90 6.62 25.34 32.98 143.26 -4.20 -158.92 157.14 1.16 98.84 0.01 0.80 0.18 0.01 0.00 0.00 0.00 98.98 0.01 44 T E E 35.20 21.30 12.09 32.14 134.11 -169.36 -142.87 148.04 2.84 97.15 0.02 2.59 0.20 0.02 0.00 0.01 0.00 96.77 0.40 45 D C C 57.69 5.82 18.86 25.41 128.61 -149.54 -105.89 174.82 75.76 24.14 0.10 73.14 1.47 0.39 0.02 0.07 0.00 24.05 0.87 46 N C T 125.63 2.88 15.54 19.71 91.70 -88.35 -66.34 -19.29 98.87 0.19 0.94 0.44 6.36 92.01 0.02 0.99 0.00 0.12 0.04 47 Y C T 134.64 4.67 17.20 22.62 94.97 53.30 -92.00 2.92 98.96 0.09 0.94 0.65 6.19 92.09 0.03 0.95 0.00 0.05 0.03 48 F C C 48.09 16.70 15.32 32.01 94.27 -107.49 70.86 26.35 93.83 5.03 1.14 44.97 36.65 12.23 0.10 1.31 0.00 3.72 1.01 49 N C C 42.14 9.69 22.62 33.45 116.02 152.47 -82.65 138.66 81.31 18.62 0.06 76.49 2.50 1.17 0.01 0.06 0.00 18.93 0.85 50 L E E 5.60 25.22 17.64 43.32 122.03 -156.18 -114.09 133.52 1.27 98.73 0.00 1.28 0.02 0.00 0.00 0.00 0.00 98.63 0.07 51 Q E E 45.24 10.97 27.53 39.27 122.08 -166.36 -117.88 132.92 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 52 L E E 5.74 24.97 17.52 43.00 121.21 -163.61 -114.65 130.71 0.13 99.87 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 53 N E E 49.60 8.56 23.73 32.77 132.94 -178.07 -129.85 158.45 2.44 97.56 0.00 1.37 0.73 0.05 0.00 0.00 0.00 97.84 0.01 54 E E E 116.43 4.04 23.95 28.52 93.84 7.05 57.27 44.71 2.82 97.18 0.00 1.69 0.63 0.04 0.00 0.00 0.00 97.62 0.01 55 A E E 6.43 23.60 12.73 36.32 118.79 160.92 -82.63 145.27 1.90 98.10 0.00 1.81 0.04 0.00 0.00 0.00 0.00 98.14 0.01 56 E E E 59.54 9.00 25.02 34.54 124.56 -161.53 -120.54 140.12 0.39 99.61 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.01 57 E E E 29.91 17.44 16.66 34.55 120.07 -149.63 -108.10 133.55 0.37 99.63 0.00 0.28 0.03 0.00 0.00 0.00 0.00 99.69 0.00 58 F E E 63.01 9.76 16.94 28.46 120.80 -162.91 -115.86 129.91 0.74 99.26 0.00 0.61 0.04 0.00 0.00 0.00 0.00 99.35 0.01 59 V E E 56.60 9.75 11.79 23.15 118.76 -173.63 -128.97 119.31 3.74 96.23 0.03 2.37 0.78 0.20 0.00 0.02 0.00 96.49 0.14 60 A C T 96.03 1.49 13.35 15.21 93.70 -18.91 52.07 44.05 99.59 0.28 0.12 0.49 3.14 96.03 0.01 0.10 0.00 0.22 0.02 61 G C T 62.83 1.42 12.26 14.22 94.87 -47.12 80.33 2.50 99.83 0.08 0.09 0.54 3.17 96.15 0.00 0.07 0.00 0.06 0.00 62 V E E 96.58 2.42 13.47 17.34 121.60 108.34 -111.43 137.14 5.17 94.82 0.01 2.89 1.89 0.28 0.00 0.01 0.00 94.46 0.46 63 S E E 60.12 9.58 10.11 20.86 111.60 -119.13 -76.34 128.00 3.70 96.30 0.01 2.96 0.33 0.04 0.00 0.00 0.00 96.60 0.07 64 H E E 107.51 5.57 15.16 22.15 103.59 176.45 -109.21 -1.12 9.16 90.82 0.02 6.86 1.34 0.20 0.00 0.01 0.00 91.50 0.07 65 G E E 32.75 4.43 18.13 23.46 134.38 -75.95 126.41 -177.01 7.65 92.32 0.03 4.56 2.04 0.40 0.00 0.02 0.00 92.92 0.06 66 T E E 84.37 7.48 15.84 24.71 120.00 -69.10 -105.13 137.04 7.54 92.45 0.01 6.50 0.64 0.05 0.00 0.01 0.00 92.63 0.17 67 L E E 55.05 14.34 14.25 28.76 102.47 -173.06 -100.49 -3.66 9.32 90.67 0.01 8.45 0.54 0.04 0.00 0.01 0.00 90.58 0.37 68 G E E 27.53 6.01 20.64 27.40 126.42 -118.58 92.15 -162.39 13.63 86.37 0.01 5.85 7.25 0.21 0.00 0.01 0.00 86.62 0.06 69 E E E 99.18 9.17 18.97 28.68 118.13 -26.55 -93.26 135.56 4.70 95.29 0.00 3.85 0.48 0.01 0.00 0.00 0.00 95.63 0.03 70 I E E 22.70 20.12 16.00 36.19 125.22 -168.47 -124.63 135.20 0.45 99.55 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.56 0.01 71 F E E 90.29 9.66 24.20 34.27 116.01 -150.32 -104.71 125.40 0.21 99.79 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.78 0.01 72 I E E 10.84 23.07 16.87 40.09 123.82 -172.83 -122.59 134.12 3.09 96.91 0.00 3.12 0.04 0.00 0.00 0.00 0.00 96.71 0.12 73 R C C 98.38 7.05 24.56 31.89 110.66 -118.55 -75.05 130.32 64.48 35.47 0.06 59.62 3.16 0.13 0.01 0.05 0.00 36.73 0.31 74 C H G 22.55 21.34 14.16 34.79 93.57 -136.44 -66.23 -28.66 27.47 2.72 69.80 10.35 6.97 8.94 0.94 70.41 0.00 2.23 0.16 75 N H G 104.84 4.02 22.09 26.74 91.36 69.20 -70.67 -18.48 24.28 1.59 74.12 2.03 4.42 15.78 0.58 75.89 0.00 1.19 0.11 76 N H G 57.70 10.88 19.08 30.73 97.46 51.35 -99.22 2.13 22.60 2.37 75.03 4.00 3.70 13.05 0.63 76.39 0.00 2.14 0.09 77 V E E 12.24 23.71 12.38 36.02 111.30 107.22 -83.01 120.68 7.41 92.51 0.08 7.21 0.40 0.05 0.03 0.05 0.00 91.55 0.71 78 L E E 77.54 6.88 22.20 29.85 100.61 176.70 -96.59 -33.69 7.27 92.71 0.01 4.78 2.31 0.06 0.00 0.01 0.00 92.81 0.04 79 Y E E 89.21 6.92 24.44 32.18 140.78 -0.65 -156.19 151.82 0.56 99.44 0.00 0.51 0.04 0.00 0.00 0.00 0.00 99.43 0.01 80 I E E 33.66 23.05 14.14 36.26 124.72 -163.31 -129.32 130.48 0.28 99.72 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.01 81 R E E 100.32 6.44 22.96 30.06 130.91 -176.44 -132.24 148.26 1.68 98.32 0.00 1.45 0.08 0.00 0.00 0.00 0.00 98.42 0.05 82 E E E 101.21 10.69 16.27 27.36 115.38 -112.68 -78.11 137.64 19.77 80.19 0.04 17.05 1.91 0.16 0.01 0.03 0.00 80.41 0.43 83 L C C 56.40 14.32 10.34 24.67 115.40 -122.35 -83.92 138.01 82.53 17.41 0.06 75.32 5.65 0.30 0.01 0.05 0.00 18.14 0.54 84 P C C 96.35 3.11 13.17 17.65 111.89 -104.31 -71.13 149.41 95.00 4.81 0.20 90.01 3.10 1.81 0.03 0.16 0.00 4.46 0.44 85 N C C 126.16 2.69 12.75 17.07 105.61 -102.19 -76.28 112.72 99.95 0.04 0.01 99.80 0.11 0.06 0.00 0.00 0.00 0.02 0.00