# 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 106.28 7.28 11.98 20.60 118.79 -162.97 -100.31 135.61 99.73 0.26 0.01 99.71 0.09 0.03 0.00 0.00 0.00 0.13 0.03 1 N C C 123.11 2.19 12.26 15.69 111.01 -151.42 -93.23 115.57 96.07 3.66 0.26 94.07 1.37 0.99 0.11 0.09 0.00 1.56 1.83 2 A C C 59.31 8.45 8.71 18.34 118.64 -157.81 -90.04 142.12 99.17 0.76 0.07 84.30 14.64 0.32 0.03 0.03 0.00 0.34 0.34 3 P C C 63.44 7.20 11.13 20.20 116.41 -105.02 -65.66 154.29 99.46 0.23 0.31 94.64 4.21 0.68 0.13 0.11 0.00 0.10 0.13 4 P C C 89.53 3.63 14.98 19.69 113.13 -98.77 -66.04 150.06 91.69 0.80 7.51 84.29 3.77 4.49 2.71 3.90 0.00 0.39 0.45 5 A C T 66.55 8.39 11.85 21.31 100.33 -108.98 -69.30 -18.59 65.73 2.11 32.16 19.58 20.90 26.47 7.13 23.82 0.02 1.20 0.89 6 F C G 111.17 8.99 13.22 22.88 103.98 55.29 -94.71 39.04 49.74 14.16 36.10 17.38 12.63 22.31 9.16 24.83 0.19 11.34 2.16 7 E C C 100.15 7.28 14.80 23.24 108.80 131.87 -95.03 96.47 40.75 27.53 31.72 25.26 9.61 8.19 9.58 20.52 0.08 24.59 2.18 8 S E E 52.20 10.05 14.05 25.04 125.34 92.31 -121.23 143.75 40.16 43.96 15.89 27.45 8.02 6.38 7.89 7.43 0.09 40.59 2.13 9 F E E 85.02 11.09 14.19 26.31 124.51 -165.92 -122.69 135.97 29.18 61.93 8.89 21.79 4.95 3.36 5.80 3.11 0.04 58.53 2.42 10 L E E 89.76 7.16 15.74 24.28 117.20 -153.18 -104.65 126.12 28.64 66.05 5.32 21.76 5.04 2.48 4.03 1.79 0.03 61.86 3.01 11 L C E 65.33 11.31 11.34 23.65 118.19 -163.30 -104.43 132.91 48.81 47.88 3.31 37.99 8.51 2.86 1.82 1.47 0.02 45.46 1.86 12 F C C 115.95 5.08 12.57 19.05 116.58 -119.74 -93.23 137.59 60.36 33.76 5.87 36.62 14.10 11.22 2.23 3.73 0.09 27.49 4.51 13 E C T 153.85 1.95 12.22 15.44 102.55 -42.65 -49.15 102.56 92.64 3.21 4.15 3.92 9.92 78.91 0.65 3.34 0.00 2.55 0.71 14 G C T 57.83 2.27 12.80 15.70 98.29 -7.23 83.61 -1.60 95.18 1.78 3.04 5.29 10.71 79.09 0.35 2.78 0.00 1.46 0.33 15 E C C 94.94 7.23 11.46 20.36 119.56 115.06 -98.41 144.40 69.35 28.74 1.92 48.31 15.73 5.34 0.47 1.80 0.00 24.38 3.97 16 K C C 108.02 8.36 14.70 24.28 119.43 -132.88 -100.82 138.94 55.25 43.80 0.95 46.35 5.71 1.84 0.29 0.61 0.00 43.74 1.47 17 K E E 92.87 10.27 18.15 28.60 111.12 -138.77 -90.46 118.11 41.71 57.68 0.61 32.29 8.10 1.21 0.19 0.40 0.00 56.96 0.87 18 I E E 20.73 22.06 12.52 33.91 123.67 -141.51 -112.12 137.70 20.40 79.39 0.21 18.22 1.63 0.22 0.09 0.09 0.00 79.37 0.38 19 T E E 61.66 6.06 24.01 30.41 122.83 -159.31 -114.15 137.57 6.24 93.69 0.07 5.78 0.28 0.05 0.03 0.02 0.00 93.70 0.15 20 I E E 44.73 20.34 13.36 32.78 121.35 -156.99 -112.96 131.03 3.98 95.97 0.05 3.50 0.26 0.04 0.02 0.01 0.00 96.03 0.13 21 N E E 78.96 5.16 21.17 27.12 127.32 -175.53 -126.07 143.85 3.71 96.25 0.05 3.25 0.27 0.05 0.02 0.02 0.00 96.23 0.16 22 K E E 124.45 7.27 16.11 24.96 115.20 -114.29 -77.25 138.41 16.35 83.54 0.11 14.90 1.18 0.18 0.05 0.06 0.00 82.28 1.35 23 D C C 32.71 15.52 9.16 24.79 109.49 -127.41 -86.17 118.87 88.36 11.56 0.08 86.43 1.64 0.25 0.02 0.05 0.00 11.00 0.62 24 T C S 116.52 1.19 14.51 15.90 93.64 -160.46 -73.96 -18.69 99.11 0.74 0.14 6.93 69.64 22.61 0.01 0.13 0.00 0.56 0.11 25 K C S 149.83 1.78 14.51 16.30 97.38 50.04 -83.95 -27.77 99.07 0.80 0.13 1.95 77.24 20.03 0.01 0.09 0.00 0.55 0.13 26 V C S 42.19 12.53 9.73 23.04 114.73 35.83 -128.44 96.76 87.52 12.37 0.10 29.00 59.11 0.98 0.02 0.09 0.00 9.19 1.62 27 P C T 86.85 4.35 17.38 22.90 96.08 -159.83 -65.44 -20.45 89.85 9.76 0.40 2.37 10.56 77.96 0.01 0.42 0.00 8.15 0.53 28 N C T 70.76 10.95 17.39 28.80 96.37 37.23 -94.26 12.67 88.90 10.78 0.32 2.57 12.72 73.59 0.01 0.38 0.00 10.53 0.20 29 A E E 14.03 15.48 18.54 35.19 127.73 98.31 -116.03 147.96 28.55 71.39 0.05 23.96 3.47 0.24 0.01 0.05 0.00 71.87 0.40 30 C E E 7.08 20.08 19.79 40.37 133.31 -173.82 -133.69 151.68 0.92 99.08 0.00 0.82 0.03 0.00 0.00 0.00 0.00 99.09 0.05 31 L E E 32.19 13.42 25.36 39.47 119.86 -143.52 -111.76 130.03 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 32 F E E 6.17 24.32 20.05 44.66 121.78 -168.07 -115.13 130.89 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 33 T E E 28.60 11.71 26.26 38.89 118.53 -160.42 -112.00 128.00 0.39 99.61 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.61 0.01 34 I E E 7.81 23.15 16.61 40.16 118.94 -165.82 -109.89 128.75 4.53 95.46 0.01 4.50 0.11 0.01 0.00 0.00 0.00 95.14 0.24 35 N C E 65.23 8.38 21.22 30.06 113.34 -157.63 -92.25 143.97 56.20 42.95 0.84 31.39 23.12 2.39 0.16 0.57 0.00 41.73 0.63 36 K C S 109.41 7.65 18.88 26.62 108.76 -10.60 -82.64 107.51 80.24 6.97 12.78 17.66 47.09 17.33 3.54 7.38 0.06 5.40 1.54 37 E C C 96.76 10.24 15.33 25.92 108.03 36.03 -86.01 95.43 76.30 3.01 20.69 39.07 22.06 16.22 7.93 11.84 0.01 1.63 1.23 38 D C C 81.39 8.00 16.56 25.22 104.32 66.08 -88.24 76.45 76.63 1.68 21.70 54.18 11.08 11.54 11.77 9.65 0.00 0.81 0.98 39 H C C 77.66 13.86 14.63 28.08 102.33 110.64 -91.83 11.55 60.47 1.20 38.33 36.65 14.48 9.17 35.30 3.32 0.01 0.45 0.62 40 T H H 72.29 5.12 21.98 27.35 94.12 122.86 -66.67 -39.12 30.14 0.54 69.32 13.05 8.97 9.09 66.48 1.90 0.04 0.19 0.29 41 L H H 33.25 17.50 20.22 36.92 92.96 49.15 -65.22 -41.00 9.20 0.08 90.72 2.50 1.85 4.92 89.57 1.08 0.02 0.03 0.04 42 G H H 3.61 22.57 17.78 40.32 91.22 52.75 -62.97 -41.93 4.39 0.03 95.58 1.40 0.72 2.12 95.12 0.60 0.01 0.01 0.01 43 N H H 73.41 6.75 24.68 31.83 91.46 51.42 -63.95 -40.19 1.41 0.01 98.59 0.48 0.18 0.62 98.48 0.24 0.00 0.00 0.00 44 I H H 54.18 9.29 24.20 34.01 91.57 50.55 -64.25 -42.71 0.40 0.00 99.60 0.08 0.04 0.21 99.59 0.09 0.00 0.00 0.00 45 I H H 3.98 25.39 20.25 45.61 91.49 49.33 -64.09 -43.54 0.19 0.00 99.81 0.03 0.01 0.11 99.81 0.04 0.00 0.00 0.00 46 K H H 56.10 17.79 21.95 38.20 91.09 51.29 -61.85 -42.53 0.16 0.00 99.84 0.01 0.01 0.10 99.84 0.04 0.00 0.00 0.00 47 S H H 55.27 3.81 25.31 28.68 91.62 50.38 -64.11 -41.56 0.32 0.00 99.68 0.02 0.01 0.23 99.63 0.11 0.00 0.00 0.00 48 Q H H 44.38 12.45 21.65 34.40 92.08 49.66 -65.63 -41.02 0.75 0.00 99.24 0.03 0.03 0.61 98.90 0.42 0.00 0.00 0.00 49 L H H 4.10 25.50 15.07 40.83 91.31 50.79 -64.93 -40.12 2.62 0.01 97.37 0.09 0.11 2.40 95.40 1.99 0.01 0.00 0.00 50 L H H 79.76 10.72 18.71 29.73 91.30 54.31 -67.80 -26.45 31.12 0.02 68.86 0.51 0.60 30.77 66.07 2.02 0.00 0.01 0.02 51 K C T 145.88 2.05 20.74 22.32 93.40 55.98 -82.73 -11.45 68.42 0.05 31.53 1.03 2.00 65.45 29.52 1.92 0.01 0.02 0.04 52 D C C 24.07 19.36 9.35 28.14 110.24 98.61 -83.35 119.23 99.53 0.37 0.09 62.69 36.62 0.23 0.05 0.03 0.00 0.10 0.28 53 P C T 110.96 1.95 19.51 21.82 91.47 -150.69 -66.88 -18.74 99.73 0.03 0.24 0.23 2.83 96.72 0.01 0.18 0.00 0.01 0.01 54 Q C T 64.70 12.99 16.60 30.04 92.96 61.87 -83.67 -8.47 99.81 0.06 0.14 0.35 2.30 97.19 0.00 0.12 0.00 0.04 0.01 55 V E E 8.60 24.46 11.56 36.11 113.56 93.58 -87.65 123.16 7.99 92.00 0.01 7.24 0.57 0.02 0.00 0.01 0.00 91.49 0.67 56 L E E 70.96 8.01 23.65 32.45 98.93 177.61 -91.88 -33.79 11.50 88.49 0.00 6.88 3.85 0.07 0.00 0.00 0.00 89.13 0.06 57 F E E 61.51 10.79 25.36 36.72 141.79 2.04 -156.53 150.73 0.71 99.29 0.00 0.53 0.08 0.01 0.00 0.00 0.00 99.38 0.01 58 A E E 13.36 23.48 17.49 40.25 132.02 -172.07 -138.22 144.16 0.50 99.50 0.00 0.45 0.02 0.00 0.00 0.00 0.00 99.52 0.01 59 G E E 12.49 13.74 23.87 38.03 144.08 157.08 -158.67 171.29 0.61 99.38 0.00 0.55 0.03 0.00 0.00 0.00 0.00 99.41 0.01 60 Y E E 53.57 18.21 18.81 36.36 134.20 -139.31 -139.34 150.89 2.33 97.67 0.00 2.16 0.09 0.00 0.00 0.00 0.00 97.66 0.08 61 K E E 101.41 9.49 20.09 29.98 118.76 -135.72 -103.79 129.79 18.63 81.35 0.02 15.92 2.38 0.10 0.00 0.02 0.00 80.94 0.64 62 V C C 51.80 12.84 14.45 28.05 114.55 -162.21 -112.63 114.81 69.90 30.07 0.03 56.54 11.31 0.29 0.00 0.04 0.00 31.21 0.61 63 P C C 74.08 6.13 14.85 22.51 105.25 -136.83 -70.49 114.22 85.45 14.38 0.18 65.36 18.08 1.54 0.03 0.20 0.00 13.80 1.00 64 H C C 86.69 6.88 10.89 19.38 120.74 -87.12 -117.08 135.47 87.39 11.81 0.80 66.59 17.19 3.08 0.19 0.78 0.00 6.39 5.77 65 P C T 101.38 3.42 10.81 15.76 96.00 -112.09 -63.94 -23.87 94.17 0.56 5.27 2.73 10.27 80.53 0.30 5.60 0.00 0.36 0.21 66 L C T 133.64 1.53 11.83 13.50 97.06 41.38 -84.24 -10.86 93.26 0.83 5.91 3.01 10.11 79.50 0.43 6.10 0.00 0.56 0.29 67 E C S 90.02 6.46 11.64 19.67 119.83 57.32 -110.00 138.44 86.06 7.50 6.44 26.82 43.13 16.21 0.68 5.97 0.00 3.97 3.21 68 H C C 109.53 7.57 14.26 23.05 102.41 -141.20 -79.70 48.52 93.66 5.76 0.58 42.69 34.66 16.34 0.06 0.65 0.00 4.98 0.62 69 K C E 75.21 10.09 18.39 29.31 128.50 115.35 -119.60 148.51 52.84 47.04 0.12 41.86 10.17 0.75 0.02 0.12 0.00 45.78 1.28 70 I E E 17.11 19.64 16.59 36.59 120.11 -139.32 -106.92 133.45 13.38 86.61 0.01 13.09 0.24 0.01 0.00 0.00 0.00 86.38 0.27 71 I E E 34.25 11.63 23.87 36.75 118.15 -155.44 -109.28 127.54 1.25 98.75 0.00 1.09 0.05 0.00 0.00 0.00 0.00 98.82 0.03 72 I E E 6.69 24.06 18.64 43.16 119.69 -164.20 -112.40 128.54 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 73 R E E 62.78 11.51 26.50 38.51 117.90 -160.88 -107.52 127.22 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 74 V E E 4.45 24.96 18.99 44.48 121.82 -169.93 -117.06 130.35 0.56 99.44 0.00 0.52 0.01 0.00 0.00 0.00 0.00 99.46 0.01 75 Q E E 54.47 10.56 26.88 38.04 118.64 -159.58 -106.59 130.32 2.79 97.21 0.00 2.76 0.04 0.00 0.00 0.00 0.00 97.14 0.06 76 T E E 11.97 21.51 15.02 36.27 133.29 -169.21 -127.84 158.53 31.17 68.82 0.01 30.96 0.52 0.02 0.00 0.00 0.00 67.66 0.84 77 T C C 38.85 8.23 18.45 28.16 119.89 -105.75 -74.54 157.53 93.00 6.96 0.04 89.52 3.60 0.20 0.01 0.03 0.00 5.83 0.81 78 P C T 100.19 5.21 14.27 21.30 91.31 -105.08 -62.44 -24.38 99.52 0.17 0.31 0.77 13.52 85.29 0.02 0.26 0.00 0.10 0.05 79 D C T 128.29 0.63 17.06 15.37 94.50 51.71 -88.00 -6.98 99.65 0.08 0.27 1.32 11.47 86.88 0.01 0.24 0.00 0.05 0.02 80 Y C S 62.63 13.50 10.72 24.85 125.82 60.61 -119.57 146.82 96.63 3.05 0.31 34.76 60.99 0.85 0.10 0.15 0.00 0.92 2.22 81 S C C 50.38 4.07 22.25 25.94 119.84 -125.95 -84.26 158.04 99.74 0.18 0.07 98.65 1.12 0.04 0.05 0.01 0.00 0.06 0.07 82 P H H 23.73 21.43 13.84 34.83 91.51 -113.25 -58.87 -37.12 3.08 0.01 96.91 0.47 0.32 2.08 96.13 0.98 0.00 0.00 0.00 83 Q H H 90.53 9.29 21.04 30.66 91.62 53.95 -63.17 -41.09 1.14 0.00 98.85 0.13 0.07 0.78 98.27 0.75 0.00 0.00 0.00 84 E H H 103.57 2.95 24.87 26.96 91.58 48.30 -65.59 -40.76 0.29 0.00 99.71 0.05 0.02 0.16 99.26 0.51 0.00 0.00 0.00 85 A H H 7.45 18.18 18.12 37.12 91.56 50.58 -63.30 -43.47 0.17 0.00 99.83 0.02 0.01 0.09 99.75 0.12 0.00 0.00 0.00 86 F H H 19.35 21.78 20.03 40.91 91.86 49.13 -63.98 -42.53 0.18 0.00 99.82 0.02 0.01 0.11 99.80 0.06 0.00 0.00 0.00 87 T H H 62.32 6.55 24.04 30.87 91.56 49.68 -63.65 -42.45 0.17 0.00 99.83 0.01 0.01 0.11 99.84 0.03 0.00 0.00 0.00 88 N H H 79.38 4.03 25.34 29.06 91.89 48.39 -65.10 -41.48 0.21 0.00 99.79 0.02 0.01 0.14 99.81 0.03 0.00 0.00 0.00 89 A H H 6.24 19.45 19.09 39.09 91.69 50.51 -63.47 -43.40 0.21 0.00 99.79 0.02 0.01 0.14 99.81 0.02 0.00 0.00 0.00 90 I H H 26.99 18.01 20.77 38.22 91.51 49.73 -63.36 -42.59 0.15 0.00 99.85 0.02 0.01 0.09 99.87 0.02 0.00 0.00 0.00 91 T H H 75.71 2.91 24.77 26.78 91.72 49.82 -63.96 -42.14 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 92 D H H 63.26 6.49 22.77 29.57 91.93 48.79 -65.26 -41.19 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 93 L H H 11.43 21.14 17.26 38.35 91.85 50.39 -64.61 -42.73 0.14 0.00 99.86 0.01 0.01 0.09 99.88 0.02 0.00 0.00 0.00 94 I H H 65.46 10.28 20.38 31.06 91.64 50.33 -63.38 -42.01 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 95 S H H 63.88 1.92 22.94 22.86 91.71 49.94 -64.24 -41.77 0.23 0.00 99.77 0.02 0.01 0.15 99.77 0.04 0.00 0.00 0.00 96 E H H 67.91 9.36 19.41 29.51 92.11 49.27 -65.59 -40.96 0.36 0.00 99.64 0.03 0.02 0.26 99.64 0.06 0.00 0.00 0.00 97 L H H 32.78 15.39 16.15 31.91 91.83 50.66 -64.46 -40.90 0.45 0.00 99.55 0.05 0.03 0.29 99.53 0.10 0.00 0.00 0.00 98 S H H 57.46 3.18 20.15 23.16 91.54 51.80 -63.78 -40.51 0.86 0.00 99.14 0.11 0.04 0.57 99.16 0.11 0.00 0.00 0.00 99 L H H 85.42 2.66 19.41 21.59 91.76 50.35 -64.46 -41.72 0.74 0.00 99.26 0.09 0.04 0.49 99.28 0.11 0.00 0.00 0.00 100 L H H 48.79 9.79 16.14 27.28 92.19 50.13 -64.85 -41.84 0.39 0.00 99.61 0.08 0.03 0.21 99.59 0.09 0.00 0.00 0.00 101 E H H 82.76 6.80 16.57 24.53 91.58 51.24 -63.36 -41.19 0.34 0.00 99.66 0.05 0.02 0.19 99.66 0.08 0.00 0.00 0.00 102 E H H 110.13 1.73 18.59 19.09 91.83 50.43 -64.81 -40.89 0.47 0.00 99.53 0.06 0.02 0.30 99.51 0.10 0.00 0.00 0.00 103 R H H 122.94 3.41 17.26 21.10 91.89 50.39 -64.75 -41.16 0.56 0.00 99.44 0.07 0.03 0.36 99.41 0.12 0.00 0.00 0.00 104 F H H 79.92 7.67 14.69 23.65 92.19 49.93 -65.17 -41.14 0.60 0.00 99.40 0.13 0.04 0.33 99.34 0.15 0.00 0.00 0.00 105 R H H 130.84 2.77 16.99 20.04 91.77 50.84 -64.07 -41.09 0.75 0.00 99.24 0.19 0.06 0.40 99.19 0.16 0.00 0.00 0.00 106 V H H 79.45 1.94 16.81 18.13 91.71 49.62 -64.80 -41.72 1.27 0.01 98.72 0.33 0.12 0.69 98.61 0.24 0.00 0.00 0.00 107 A H H 44.09 4.31 14.36 20.25 91.98 50.87 -64.17 -41.00 2.47 0.02 97.51 0.61 0.23 1.39 97.36 0.40 0.00 0.01 0.00 108 I H H 77.95 4.39 13.60 19.33 92.70 49.44 -65.35 -40.81 4.82 0.06 95.12 1.51 0.59 2.56 94.51 0.78 0.01 0.03 0.02 109 K H H 124.02 1.74 14.40 16.01 92.61 51.20 -65.47 -39.26 8.40 0.12 91.48 2.90 1.17 4.33 90.33 1.16 0.01 0.06 0.04 110 D H H 90.75 1.99 12.64 15.01 93.88 50.58 -69.00 -34.37 16.74 0.20 83.06 5.92 2.25 8.63 81.14 1.86 0.02 0.10 0.09 111 K H H 125.95 2.95 10.76 14.98 94.76 55.87 -71.10 -30.10 21.81 0.25 77.94 8.00 3.28 10.95 74.84 2.67 0.02 0.11 0.13 112 Q H H 122.47 2.30 9.99 13.49 97.67 56.72 -77.36 -20.91 31.87 0.50 67.64 11.74 5.38 15.72 63.64 3.00 0.04 0.22 0.26 113 E C H 137.73 1.74 9.45 12.23 100.87 62.69 -79.65 -6.91 55.56 0.58 43.86 12.99 9.58 33.51 39.56 3.73 0.05 0.23 0.35 114 G C T 58.16 1.68 9.55 12.36 101.97 -29.64 56.06 2.96 77.53 0.73 21.73 23.17 10.84 44.22 16.86 4.18 0.01 0.32 0.40 115 I C C 122.87 2.44 7.38 11.49 103.13 92.19 -84.95 15.34 87.75 1.20 11.05 74.00 1.73 12.92 7.83 2.18 0.00 0.60 0.73 116 E C C 135.80 2.72 10.39 14.71 105.89 80.42 -84.10 68.80 99.93 0.05 0.02 99.85 0.07 0.04 0.01 0.00 0.00 0.03 0.00