# 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 108.04 6.82 11.87 20.06 116.02 -161.22 -94.76 134.09 99.89 0.10 0.01 99.87 0.06 0.01 0.00 0.00 0.00 0.04 0.01 1 T C C 90.36 3.93 10.52 16.21 115.88 -154.30 -94.46 140.79 90.44 6.45 3.11 87.62 0.97 2.59 1.65 0.81 0.00 4.59 1.76 2 A C C 73.55 4.24 10.02 16.00 113.05 -119.95 -78.03 144.41 80.58 10.53 8.89 58.06 14.90 7.55 4.56 4.28 0.01 7.65 2.99 3 A C C 74.10 4.70 10.03 16.41 110.99 -123.05 -82.33 133.14 76.04 8.81 15.15 52.75 15.32 8.37 6.96 7.93 0.01 6.72 1.94 4 S C C 71.70 4.87 11.15 17.55 112.71 -131.89 -91.34 134.21 73.28 8.92 17.80 53.99 11.27 8.35 7.45 10.05 0.01 7.15 1.73 5 E C C 123.87 4.98 11.57 18.10 110.24 -138.28 -88.50 116.45 71.96 10.59 17.45 48.79 14.16 9.56 7.45 9.51 0.02 8.72 1.78 6 K C C 124.63 5.81 12.70 19.99 111.66 -141.38 -91.97 119.64 71.27 16.54 12.18 46.57 16.14 8.97 4.94 6.56 0.02 15.03 1.77 7 T C C 69.04 8.33 13.59 23.06 117.27 -149.68 -101.84 131.31 64.32 30.65 5.02 50.08 9.28 4.13 1.94 2.77 0.00 30.14 1.67 8 T E E 69.67 10.16 14.58 25.42 120.08 -159.43 -109.43 136.03 49.18 49.50 1.32 39.97 7.01 1.61 0.45 0.80 0.00 48.78 1.38 9 R E E 78.91 12.78 15.95 29.29 122.74 -161.14 -114.53 136.06 30.60 68.96 0.43 26.32 3.50 0.59 0.13 0.27 0.00 68.15 1.04 10 R E E 117.63 9.91 19.04 29.61 122.47 -156.73 -112.58 135.17 22.51 77.35 0.14 19.94 1.81 0.21 0.04 0.09 0.00 77.38 0.53 11 F E E 29.67 18.53 16.87 35.39 130.16 -173.19 -128.90 147.08 13.37 86.57 0.05 12.01 0.78 0.08 0.01 0.03 0.00 86.72 0.37 12 T E E 53.05 11.34 23.33 34.93 122.14 -148.52 -113.99 131.94 5.71 94.27 0.02 5.26 0.26 0.02 0.00 0.01 0.00 94.21 0.24 13 I E E 10.85 23.33 17.49 41.09 117.36 -159.40 -109.67 124.54 4.57 95.41 0.01 4.28 0.22 0.02 0.00 0.01 0.00 94.97 0.50 14 D E E 55.63 8.74 25.30 34.65 108.61 -144.07 -92.36 111.15 18.61 81.35 0.04 17.82 0.71 0.07 0.01 0.03 0.00 80.27 1.09 15 C C C 7.01 23.86 15.50 40.11 98.08 -175.39 -95.63 4.99 82.76 14.65 2.59 48.13 17.33 17.47 0.31 2.50 0.00 12.95 1.32 16 T C S 60.50 10.51 20.65 31.57 93.54 94.51 -75.65 -19.09 92.68 5.58 1.74 13.20 56.40 23.43 0.19 1.43 0.00 4.42 0.91 17 K C S 108.94 5.55 21.35 27.53 113.20 51.61 -108.88 106.92 95.53 3.80 0.67 15.39 78.21 2.44 0.15 0.36 0.00 2.43 1.02 18 P C C 41.61 15.01 14.72 29.82 112.38 -127.61 -69.39 144.50 81.53 14.67 3.80 69.83 6.45 3.27 1.79 1.86 0.00 5.85 10.94 19 A C C 27.93 15.58 12.16 27.48 108.41 -112.61 -75.24 149.89 75.43 18.48 6.10 61.80 7.08 4.93 2.03 4.12 0.01 7.41 12.63 20 S C T 91.24 1.82 15.89 18.04 94.09 -83.18 -66.27 -25.25 74.29 11.49 14.22 5.88 13.99 54.04 1.49 12.95 0.18 6.82 4.65 21 D C T 94.43 4.45 14.41 20.20 95.25 47.05 -90.60 5.75 89.33 0.74 9.94 1.78 11.00 75.67 0.56 10.19 0.00 0.37 0.42 22 S C S 79.11 4.86 15.65 22.10 93.93 -112.85 70.67 20.80 93.26 2.09 4.66 6.53 48.37 38.30 0.36 4.35 0.00 0.96 1.12 23 L C S 51.68 12.43 16.73 29.93 98.06 121.03 -84.69 -30.99 89.79 9.51 0.69 21.93 64.55 3.85 0.25 0.42 0.00 4.69 4.31 24 I C S 12.97 21.13 13.46 34.68 130.27 26.08 -133.55 142.76 70.85 28.50 0.65 31.91 37.49 1.17 0.39 0.27 0.00 7.55 21.21 25 S C C 44.15 5.74 24.35 30.08 123.52 -142.41 -95.35 154.60 96.51 3.11 0.38 93.97 2.68 0.22 0.29 0.08 0.00 1.50 1.26 26 P H H 38.18 18.78 14.21 32.56 91.41 -111.84 -58.40 -35.83 22.67 0.23 77.10 2.78 2.18 15.78 57.88 21.08 0.06 0.14 0.10 27 S H H 79.55 2.46 21.78 24.28 91.42 56.68 -65.42 -31.90 20.33 0.14 79.53 1.24 1.42 15.58 57.01 24.55 0.06 0.08 0.06 28 D H H 64.29 9.10 20.48 29.86 94.80 47.54 -83.62 -19.58 13.37 0.20 86.43 2.43 1.44 8.01 60.68 27.23 0.03 0.12 0.06 29 L H H 5.37 25.22 15.65 40.91 92.35 66.58 -62.47 -43.71 1.93 0.02 98.05 0.62 0.24 1.00 96.49 1.63 0.00 0.01 0.00 30 G H H 16.62 14.00 19.98 34.30 91.37 52.45 -62.32 -42.23 1.21 0.01 98.78 0.26 0.10 0.75 98.05 0.82 0.00 0.00 0.00 31 A H H 56.31 2.88 24.35 26.20 91.59 50.65 -64.09 -41.84 0.72 0.01 99.27 0.14 0.07 0.46 98.76 0.57 0.00 0.00 0.00 32 F H H 27.53 14.63 19.91 35.23 91.60 49.66 -64.12 -43.69 0.47 0.01 99.52 0.09 0.04 0.29 99.18 0.39 0.00 0.01 0.00 33 L H H 4.30 25.33 16.37 41.90 91.50 49.07 -64.70 -41.39 0.56 0.01 99.42 0.09 0.03 0.38 99.08 0.41 0.00 0.01 0.00 34 Q H H 87.22 11.07 19.92 30.83 91.91 52.45 -65.29 -36.63 1.87 0.02 98.11 0.14 0.09 1.58 97.49 0.67 0.00 0.01 0.00 35 Q H H 114.87 3.05 22.53 25.25 94.35 45.85 -75.00 -29.18 11.16 0.06 88.78 0.45 0.54 10.19 87.88 0.86 0.03 0.03 0.02 36 K H H 65.94 13.36 18.48 31.63 101.43 35.81 -101.53 -17.15 31.91 1.11 66.98 3.79 3.24 24.52 65.79 1.56 0.14 0.60 0.37 37 I E E 14.15 23.34 13.28 36.14 113.43 86.19 -93.66 121.34 37.36 42.72 19.93 25.28 6.73 4.58 19.85 2.67 0.10 34.41 6.36 38 K E E 98.08 7.45 22.45 30.19 119.46 -163.19 -106.68 133.71 32.25 51.00 16.75 24.58 3.08 3.08 16.38 2.69 0.03 44.31 5.86 39 C C E 31.49 15.97 14.34 30.35 117.10 -156.21 -99.48 131.73 44.08 39.17 16.74 33.22 4.82 4.32 14.30 3.67 0.05 36.39 3.23 40 Y C C 101.77 9.55 14.92 25.31 113.79 -161.08 -102.89 121.63 50.01 31.75 18.24 27.60 10.79 12.82 13.37 5.22 0.28 26.31 3.60 41 T C T 89.58 4.92 14.31 20.18 102.11 8.69 -77.19 62.76 75.02 10.14 14.84 18.81 17.84 39.41 8.39 5.82 0.12 7.40 2.21 42 G C T 54.00 3.44 12.92 17.62 99.67 -62.64 80.58 2.04 90.13 2.97 6.90 20.01 28.75 42.14 2.09 4.24 0.01 1.93 0.84 43 K C C 114.57 4.90 12.18 18.71 111.56 111.46 -97.26 113.57 77.75 15.05 7.21 42.84 21.09 14.11 2.89 4.47 0.03 10.35 4.23 44 K C T 124.01 6.69 12.01 20.06 100.46 -141.85 -72.97 -11.33 63.34 16.71 19.95 21.25 15.98 28.35 6.11 12.62 0.20 11.80 3.69 45 E C T 119.95 5.40 14.81 21.28 102.20 54.43 -78.64 8.07 63.43 15.97 20.60 21.15 15.96 28.58 5.67 13.48 0.15 12.65 2.35 46 K C C 105.48 8.02 15.78 24.58 109.20 97.45 -94.34 91.17 55.83 25.02 19.15 30.37 14.54 13.36 6.08 12.04 0.11 20.72 2.78 47 L C E 62.23 12.88 16.27 29.38 113.50 -153.45 -92.12 127.28 47.05 42.25 10.70 32.96 9.03 5.75 6.08 5.05 0.08 36.80 4.26 48 L E E 34.87 18.61 14.82 32.79 119.01 -155.45 -104.35 135.28 43.58 51.29 5.13 34.67 5.99 2.66 3.08 1.93 0.01 50.03 1.63 49 H E E 94.94 7.57 22.65 30.84 120.75 -155.46 -113.14 131.05 32.12 64.63 3.25 26.94 3.11 1.48 1.83 1.14 0.00 64.58 0.92 50 I E E 27.50 21.60 13.51 34.57 122.02 -166.74 -117.14 129.57 25.65 71.98 2.36 22.38 1.85 0.77 1.42 0.69 0.00 72.10 0.79 51 N E E 81.66 5.70 22.28 28.61 121.31 -169.00 -116.90 133.02 18.51 79.19 2.29 15.29 2.09 1.15 1.36 0.82 0.00 78.23 1.07 52 A E E 39.60 16.95 11.28 27.33 118.94 -162.85 -110.52 128.37 26.78 70.47 2.76 19.27 5.48 3.26 1.22 1.39 0.01 68.14 1.23 53 N C E 109.35 2.62 16.90 20.02 111.45 -174.29 -119.21 99.82 54.22 43.30 2.48 32.30 12.02 10.61 0.64 1.67 0.01 41.43 1.32 54 G C T 50.74 3.19 15.74 19.85 108.67 -56.17 67.66 -117.54 92.97 5.07 1.97 16.93 32.20 43.88 0.26 1.67 0.00 4.51 0.55 55 N C T 98.94 7.86 15.92 24.43 101.77 -14.39 -96.69 7.11 87.42 11.04 1.54 19.48 32.84 34.91 0.16 1.38 0.00 10.47 0.75 56 I E E 60.04 11.15 17.12 29.38 121.32 91.06 -107.81 134.30 35.37 64.08 0.54 25.04 9.14 2.23 0.12 0.42 0.00 61.94 1.11 57 V E E 23.40 19.32 15.69 35.15 119.06 -162.20 -110.78 128.64 14.84 85.02 0.15 12.47 1.56 0.28 0.04 0.08 0.00 85.22 0.36 58 E E E 73.78 8.97 24.90 34.42 120.03 -158.92 -111.98 130.74 5.51 94.37 0.13 4.56 0.52 0.11 0.04 0.04 0.00 94.58 0.16 59 V E E 10.28 24.27 16.00 40.76 121.33 -165.29 -116.68 129.10 3.14 96.75 0.12 2.77 0.16 0.04 0.05 0.02 0.00 96.82 0.13 60 D E E 61.27 8.09 26.09 34.69 119.74 -165.75 -114.19 128.65 7.63 92.18 0.18 6.94 0.45 0.10 0.09 0.06 0.00 92.01 0.35 61 V E E 18.20 22.60 14.52 36.81 120.05 -164.86 -112.91 127.47 34.81 65.01 0.19 31.83 1.71 0.24 0.06 0.10 0.00 65.37 0.68 62 T C C 72.27 7.12 20.94 28.49 115.95 -173.13 -106.00 128.60 69.57 29.84 0.59 56.78 9.58 1.54 0.17 0.40 0.00 30.48 1.04 63 G C C 40.82 7.27 17.89 25.85 115.65 40.31 117.27 -161.38 81.32 12.59 6.09 49.91 23.43 8.80 2.55 3.38 0.01 10.05 1.87 64 G C C 42.10 6.96 18.42 25.96 119.61 -42.13 97.96 170.47 79.41 6.72 13.88 42.46 21.91 16.05 5.88 7.48 0.03 4.47 1.71 65 F C C 90.00 13.68 16.81 29.96 113.85 -62.86 -90.86 130.17 72.06 8.74 19.19 42.02 16.15 14.40 10.75 8.32 0.06 5.64 2.66 66 I C C 44.68 17.24 15.61 32.40 116.53 -163.00 -103.25 132.14 70.47 9.00 20.52 47.71 14.01 8.45 15.37 5.75 0.06 5.44 3.23 67 G C C 22.53 9.76 20.10 30.50 123.60 -129.65 -90.21 162.40 73.42 3.75 22.83 56.30 9.78 6.17 21.20 3.18 0.01 1.96 1.40 68 K H H 101.87 12.78 16.52 29.02 93.34 -105.60 -62.97 -33.45 21.67 0.62 77.71 8.06 5.60 9.59 72.51 3.55 0.09 0.32 0.27 69 Q H H 105.23 3.91 21.90 25.97 92.53 55.88 -65.59 -39.65 16.22 0.38 83.40 3.92 2.81 10.17 78.84 3.76 0.14 0.22 0.16 70 G H H 11.23 14.71 18.84 34.14 92.58 51.44 -65.18 -40.58 13.57 0.36 86.07 4.58 2.11 7.69 81.67 3.52 0.08 0.20 0.15 71 L H H 10.31 23.30 17.98 40.79 91.89 51.34 -64.53 -41.95 2.46 0.04 97.50 1.04 0.34 1.06 96.70 0.82 0.00 0.02 0.01 72 K H H 89.04 11.52 22.63 33.69 91.75 52.57 -63.44 -41.10 1.09 0.02 98.89 0.30 0.11 0.63 98.31 0.63 0.00 0.01 0.00 73 W H H 106.21 7.13 24.55 31.99 92.06 49.87 -65.32 -41.82 1.20 0.02 98.78 0.25 0.10 0.77 98.24 0.63 0.00 0.01 0.00 74 Q H H 18.84 18.86 22.04 40.43 92.46 49.57 -65.35 -42.66 2.41 0.02 97.57 0.36 0.21 1.67 97.24 0.50 0.01 0.01 0.01 75 I H H 11.22 22.13 20.90 42.41 92.17 49.02 -64.89 -41.91 4.42 0.02 95.56 0.50 0.38 3.16 95.64 0.29 0.01 0.01 0.01 76 G H H 22.32 9.89 22.31 32.89 91.78 52.31 -63.08 -42.15 4.50 0.01 95.49 0.57 0.30 3.17 95.73 0.23 0.00 0.00 0.00 77 R H H 100.32 5.80 23.77 29.74 91.94 49.02 -65.39 -41.52 1.88 0.00 98.11 0.16 0.14 1.49 98.04 0.17 0.00 0.00 0.00 78 F H H 19.66 16.32 18.70 35.73 92.05 48.94 -64.72 -43.07 0.48 0.00 99.52 0.05 0.04 0.36 99.35 0.19 0.00 0.00 0.00 79 L H H 15.40 17.67 15.37 33.61 91.99 49.69 -63.93 -42.03 0.29 0.00 99.71 0.03 0.02 0.20 99.47 0.28 0.00 0.00 0.00 80 H H H 120.14 3.39 17.88 21.91 92.43 48.89 -65.35 -40.99 0.47 0.00 99.53 0.02 0.01 0.39 99.34 0.24 0.00 0.00 0.00 81 M H H 109.34 4.42 16.32 21.75 92.05 50.55 -66.28 -34.23 4.23 0.00 95.77 0.05 0.09 4.32 95.27 0.26 0.00 0.00 0.00 82 K C T 82.72 9.57 13.39 24.31 95.88 40.67 -97.28 6.59 85.85 0.01 14.14 0.25 1.13 83.58 14.66 0.37 0.00 0.00 0.02 83 K C T 162.69 1.62 18.61 20.20 93.21 -122.13 57.14 40.97 99.66 0.01 0.34 0.98 0.98 97.84 0.15 0.05 0.00 0.00 0.00 84 L C C 20.43 18.93 12.62 31.79 100.39 133.00 -104.08 18.66 97.32 1.03 1.65 95.65 1.32 0.82 0.40 0.84 0.00 0.42 0.55 85 R H G 91.23 15.57 16.29 31.08 93.06 114.73 -60.92 -35.07 33.97 1.27 64.76 13.42 3.79 12.75 1.22 67.73 0.00 0.96 0.12 86 A H G 69.13 4.98 22.45 28.04 91.03 62.63 -70.44 -16.93 34.20 1.35 64.44 2.20 4.82 24.55 0.81 66.45 0.00 0.96 0.21 87 F H G 33.65 17.59 18.69 36.37 97.87 54.46 -95.37 -7.64 32.08 3.47 64.45 4.48 5.48 20.54 0.82 65.37 0.00 3.13 0.17 88 I E E 5.26 25.58 16.68 42.78 123.75 79.00 -108.65 134.45 22.69 77.05 0.26 18.58 4.19 0.28 0.05 0.19 0.00 76.18 0.53 89 K E E 55.09 13.04 27.08 40.04 124.95 -171.90 -118.06 137.69 3.85 96.14 0.01 3.38 0.21 0.01 0.00 0.00 0.00 96.34 0.05 90 I E E 16.29 22.95 20.36 42.90 118.90 -153.68 -107.31 128.36 0.49 99.51 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.53 0.01 91 F E E 44.19 13.29 23.86 37.40 126.56 -173.74 -123.31 140.40 0.36 99.64 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.66 0.01 92 A E E 27.57 16.74 15.83 32.58 119.59 -149.10 -106.82 132.15 2.78 97.22 0.01 2.57 0.10 0.01 0.00 0.00 0.00 97.23 0.08 93 Q E E 105.12 6.12 17.57 24.70 101.65 -174.61 -102.65 -7.11 32.63 67.27 0.09 17.49 13.47 1.05 0.01 0.09 0.00 67.68 0.21 94 G C E 32.72 3.39 18.57 22.25 138.74 -43.34 154.44 -174.72 50.31 49.39 0.30 7.69 35.43 7.48 0.02 0.32 0.00 48.06 1.00 95 L C T 120.66 5.32 13.97 20.87 93.86 -66.38 -67.85 -23.06 99.41 0.24 0.34 0.54 27.72 71.22 0.01 0.32 0.00 0.14 0.04 96 D C T 108.19 3.08 16.48 20.27 100.34 35.45 -104.09 3.75 99.43 0.35 0.22 0.86 29.10 69.54 0.00 0.23 0.00 0.24 0.04 97 G E E 14.35 11.42 17.41 30.12 137.58 69.11 -142.54 170.24 23.46 76.51 0.03 19.60 2.94 0.14 0.00 0.02 0.00 76.88 0.41 98 F E E 24.50 20.65 15.04 35.71 135.14 -166.65 -140.28 151.68 1.86 98.14 0.00 1.69 0.05 0.00 0.00 0.00 0.00 98.23 0.03 99 E E E 65.04 9.73 25.21 35.58 123.58 -151.78 -119.97 135.16 0.26 99.74 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 100 L E E 14.20 23.38 16.80 40.23 118.81 -147.36 -101.59 132.09 0.41 99.59 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.62 0.00 101 R E E 77.22 11.45 24.11 35.52 122.40 -167.70 -115.29 134.27 2.20 97.79 0.01 2.03 0.08 0.01 0.00 0.00 0.00 97.83 0.04 102 Y E E 53.99 18.33 18.66 36.29 120.89 -145.95 -103.74 136.95 12.75 87.18 0.07 11.63 0.72 0.09 0.02 0.03 0.00 87.04 0.46 103 I C E 35.94 15.44 18.94 34.68 118.82 -160.07 -109.99 131.36 49.75 49.72 0.52 42.83 4.96 0.89 0.17 0.35 0.00 49.28 1.53 104 N C C 59.94 10.76 19.70 30.95 110.30 -152.91 -101.47 109.18 67.10 31.87 1.03 60.63 4.21 1.25 0.40 0.62 0.00 29.91 2.98 105 V C C 43.74 15.67 14.71 30.35 101.74 -173.62 -84.96 -13.08 78.74 10.06 11.20 47.86 15.61 15.90 4.42 6.48 0.02 7.34 2.38 106 E C C 100.15 7.12 14.93 23.06 103.84 59.37 -91.15 28.63 82.89 4.56 12.55 46.34 17.14 19.94 4.25 7.87 0.01 2.62 1.84 107 E C T 112.70 5.81 12.27 19.56 103.32 100.69 -84.89 19.18 78.76 2.16 19.08 27.51 17.56 34.55 5.75 12.37 0.02 1.08 1.15 108 G C T 46.49 4.97 11.29 17.73 104.05 17.05 53.00 7.92 80.45 1.28 18.27 28.21 16.52 36.61 5.06 12.24 0.01 0.59 0.78 109 K C C 133.80 4.11 9.75 15.55 107.48 91.88 -85.71 83.20 77.81 2.40 19.79 40.03 17.11 21.10 5.53 13.85 0.01 1.16 1.22 110 E C C 138.25 2.59 9.14 13.43 109.07 -135.74 -87.08 115.44 86.45 1.62 11.93 70.54 2.74 14.64 4.05 6.36 0.00 0.93 0.75 111 E C C 134.81 3.41 10.90 16.14 110.04 -136.86 -86.68 122.44 99.86 0.06 0.08 99.69 0.12 0.12 0.03 0.01 0.00 0.03 0.01