# 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 115.50 5.84 11.55 18.97 114.26 -153.20 -93.34 129.43 99.78 0.17 0.04 99.70 0.10 0.07 0.02 0.00 0.00 0.08 0.03 1 A C C 77.47 4.53 9.52 15.70 112.41 -152.44 -91.36 132.38 88.64 3.71 7.64 76.11 1.95 11.64 3.42 3.01 0.00 2.49 1.37 2 G C C 52.26 3.39 10.27 15.19 115.22 17.31 -103.65 161.11 83.80 5.56 10.64 47.28 16.66 20.66 3.41 6.68 0.01 3.61 1.69 3 L C C 117.01 4.11 9.54 15.32 110.88 -116.64 -89.26 115.89 76.07 10.76 13.17 52.26 14.29 9.62 4.78 8.40 0.01 7.94 2.69 4 L C C 111.61 4.69 10.12 16.55 113.70 -151.84 -95.26 125.82 72.28 16.54 11.19 50.96 12.93 8.16 4.82 6.49 0.02 12.66 3.96 5 K C C 123.81 5.62 11.43 18.81 120.47 -158.40 -108.49 137.14 72.06 20.67 7.26 53.72 11.80 5.92 3.29 4.13 0.02 16.59 4.51 6 K C C 137.19 4.32 13.20 19.47 117.65 -140.98 -99.13 135.65 74.09 23.02 2.90 59.94 10.14 2.76 1.57 1.56 0.01 17.79 6.23 7 T C C 64.76 10.55 9.51 20.70 120.94 -154.04 -105.48 146.48 77.60 20.78 1.62 66.29 7.99 2.18 0.84 0.88 0.00 15.10 6.73 8 T C C 93.78 4.33 13.89 19.50 107.98 -154.80 -100.22 39.86 81.54 15.34 3.12 46.31 25.64 10.44 1.13 1.96 0.02 8.89 5.61 9 G C S 48.65 5.06 14.63 20.64 107.97 -42.65 80.22 -74.15 89.77 3.50 6.73 13.44 44.71 32.44 1.27 4.73 0.01 2.14 1.24 10 L C T 83.82 10.70 12.39 23.27 105.92 23.43 -95.07 71.74 81.55 9.02 9.44 20.01 30.69 31.71 1.95 6.85 0.04 5.46 3.29 11 V C T 90.87 7.18 13.83 22.25 111.13 -130.06 -77.84 125.90 79.32 11.57 9.11 14.14 17.96 47.45 2.17 6.71 0.09 8.00 3.48 12 G C T 48.34 5.22 17.02 23.10 97.10 13.12 84.37 -2.00 80.33 14.00 5.67 20.58 19.92 41.01 1.12 4.34 0.02 10.89 2.12 13 L C C 53.28 14.08 13.77 28.26 117.42 118.76 -91.62 136.26 64.67 32.16 3.17 50.10 9.76 3.88 1.26 2.11 0.01 26.94 5.93 14 A C E 48.53 9.91 19.36 29.70 113.09 -120.49 -77.54 136.34 49.40 47.93 2.67 39.45 6.50 2.71 1.55 1.49 0.02 41.12 7.17 15 V C C 53.55 15.70 16.57 31.78 117.89 -153.41 -105.22 132.66 52.83 45.43 1.75 39.24 9.71 2.62 1.05 1.04 0.02 36.11 10.19 16 C C C 24.32 16.00 13.80 30.24 123.65 -144.55 -112.98 145.24 72.49 26.90 0.61 66.98 4.35 0.73 0.35 0.31 0.00 21.18 6.10 17 E C S 145.27 2.39 18.96 21.97 94.54 -136.14 -72.32 -27.28 99.46 0.43 0.12 6.08 92.31 1.23 0.04 0.03 0.00 0.22 0.09 18 T C C 62.04 6.57 19.14 26.60 111.93 27.01 -125.97 88.95 99.31 0.39 0.30 50.75 47.90 0.74 0.19 0.07 0.00 0.12 0.23 19 P H H 14.23 21.46 14.54 36.27 93.08 -171.80 -62.61 -35.98 5.64 0.02 94.34 1.69 0.91 3.00 92.42 1.95 0.00 0.01 0.01 20 H H H 55.10 16.14 18.65 34.21 91.52 55.80 -62.84 -40.98 2.53 0.01 97.46 0.29 0.22 1.88 95.63 1.97 0.01 0.00 0.00 21 E H H 100.83 3.36 23.51 26.26 91.86 49.59 -65.78 -40.40 1.30 0.01 98.69 0.24 0.12 0.83 96.72 2.08 0.00 0.01 0.00 22 R H H 78.21 10.66 20.71 31.71 91.85 49.47 -65.11 -41.43 0.76 0.00 99.23 0.19 0.07 0.38 98.93 0.43 0.00 0.00 0.00 23 L H H 6.11 24.19 16.91 41.06 91.68 49.86 -64.87 -41.74 0.40 0.00 99.60 0.07 0.02 0.20 99.57 0.13 0.00 0.00 0.00 24 K H H 86.93 11.26 21.31 32.40 91.27 52.13 -62.46 -41.48 0.18 0.00 99.82 0.02 0.01 0.10 99.78 0.09 0.00 0.00 0.00 25 I H H 84.70 3.46 24.00 26.78 91.71 49.49 -64.37 -42.47 0.14 0.00 99.86 0.01 0.00 0.09 99.82 0.08 0.00 0.00 0.00 26 L H H 25.89 15.19 20.62 36.08 91.72 49.05 -64.38 -42.42 0.19 0.00 99.81 0.01 0.00 0.13 99.79 0.07 0.00 0.00 0.00 27 Y H H 21.35 21.00 18.39 38.97 92.03 50.52 -64.28 -41.22 0.30 0.00 99.70 0.02 0.01 0.20 99.73 0.04 0.00 0.00 0.00 28 T H H 61.94 5.86 22.50 28.70 91.48 51.56 -64.03 -41.06 0.15 0.00 99.85 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 29 K H H 97.50 4.81 23.15 27.98 91.70 50.08 -64.89 -41.41 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 30 I H H 14.13 19.78 18.49 38.17 91.95 49.36 -64.60 -42.96 0.20 0.00 99.80 0.01 0.01 0.13 99.80 0.05 0.00 0.00 0.00 31 L H H 38.90 14.81 19.12 34.00 91.55 50.99 -63.39 -40.66 0.18 0.00 99.82 0.01 0.01 0.11 99.77 0.10 0.00 0.00 0.00 32 D H H 92.24 1.99 23.47 23.99 91.86 50.64 -64.35 -40.67 0.49 0.00 99.51 0.02 0.02 0.38 99.20 0.37 0.00 0.00 0.00 33 V H H 36.35 10.37 18.85 30.48 92.04 49.09 -65.61 -41.28 0.93 0.00 99.07 0.05 0.03 0.76 97.98 1.17 0.00 0.00 0.00 34 L H H 16.45 21.23 13.45 34.45 91.52 52.84 -64.87 -35.95 1.69 0.00 98.30 0.07 0.08 1.46 93.77 4.62 0.00 0.00 0.00 35 G H H 46.93 5.16 17.92 24.36 90.67 60.18 -67.84 -21.29 32.70 0.01 67.28 0.33 0.58 33.61 60.49 4.97 0.01 0.01 0.01 36 Q C T 134.54 1.63 18.84 19.75 94.38 54.08 -88.99 -7.83 65.38 0.03 34.60 0.85 1.83 64.09 28.53 4.66 0.00 0.01 0.03 37 I C S 30.68 18.63 7.26 24.63 117.76 98.43 -78.57 140.96 99.78 0.11 0.11 10.84 88.76 0.22 0.06 0.01 0.00 0.02 0.08 38 P C C 68.71 3.54 16.51 20.84 113.11 -103.37 -62.97 144.01 99.77 0.13 0.10 99.18 0.47 0.17 0.02 0.03 0.00 0.04 0.10 39 K C T 145.94 5.18 11.18 18.56 91.93 -121.87 -61.76 -27.65 99.51 0.08 0.41 2.31 10.81 86.42 0.06 0.31 0.00 0.04 0.05 40 N C T 131.31 1.00 15.61 15.58 94.84 57.04 -89.67 3.38 99.42 0.07 0.51 2.47 9.54 87.42 0.06 0.42 0.00 0.04 0.04 41 A C S 26.61 10.83 9.74 22.36 119.64 112.43 -79.09 152.56 93.73 1.04 5.23 12.91 80.01 0.85 4.75 0.23 0.00 0.10 1.13 42 A H H 63.45 3.90 18.14 22.70 91.57 -118.08 -60.89 -36.12 5.87 0.01 94.13 0.28 0.72 5.09 93.02 0.87 0.01 0.00 0.01 43 Y H H 59.31 14.07 15.75 30.15 92.15 53.26 -65.18 -39.42 2.50 0.00 97.50 0.19 0.18 2.04 96.66 0.92 0.00 0.00 0.00 44 R H H 65.88 14.24 15.79 30.09 91.60 53.28 -63.22 -41.54 0.37 0.00 99.63 0.06 0.03 0.22 99.28 0.41 0.00 0.00 0.00 45 K H H 125.83 2.28 22.24 23.74 91.72 49.91 -64.71 -41.20 0.26 0.00 99.74 0.04 0.02 0.16 99.65 0.13 0.00 0.00 0.00 46 Y H H 96.30 6.48 21.44 28.39 91.99 48.85 -65.73 -41.73 0.32 0.00 99.67 0.04 0.02 0.21 99.65 0.08 0.00 0.00 0.00 47 T H H 10.70 19.81 16.44 36.40 91.94 49.67 -64.91 -41.96 0.23 0.00 99.77 0.02 0.01 0.16 99.77 0.04 0.00 0.00 0.00 48 E H H 71.74 10.40 20.28 31.05 91.65 51.83 -62.88 -41.40 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 49 Q H H 101.37 2.25 24.33 24.99 91.81 49.84 -64.51 -41.50 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.02 0.00 0.00 0.00 50 I H H 38.55 11.91 20.71 33.36 91.92 49.00 -64.69 -42.65 0.14 0.00 99.85 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 51 T H H 11.79 20.26 17.00 37.24 91.73 49.83 -64.01 -42.52 0.16 0.00 99.84 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 52 N H H 86.68 4.55 23.02 27.79 91.51 50.94 -64.11 -40.66 0.12 0.00 99.88 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 53 E H H 102.41 3.22 23.76 26.26 91.78 49.81 -64.81 -41.44 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 54 K H H 33.80 17.52 19.05 36.21 92.10 49.68 -64.86 -41.94 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 55 L H H 37.00 15.60 18.96 34.50 91.52 51.67 -62.49 -41.56 0.07 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 56 G H H 37.21 2.35 23.67 24.60 91.13 50.94 -63.41 -40.96 0.21 0.00 99.79 0.01 0.01 0.17 99.78 0.04 0.00 0.00 0.00 57 M H H 53.14 8.68 19.71 29.63 91.84 50.36 -64.82 -41.53 0.20 0.00 99.80 0.01 0.01 0.16 99.71 0.11 0.00 0.00 0.00 58 V H H 10.97 21.65 13.13 34.65 91.87 50.66 -65.04 -39.67 0.47 0.00 99.53 0.03 0.02 0.38 99.11 0.47 0.00 0.00 0.00 59 K H H 131.86 4.56 18.84 24.64 91.39 52.36 -67.62 -30.92 5.21 0.00 94.78 0.10 0.14 5.17 94.06 0.55 0.00 0.00 0.00 60 A H H 80.69 1.62 18.50 19.02 94.97 46.83 -82.12 -23.07 20.87 0.02 79.11 0.60 1.30 18.72 78.70 0.64 0.01 0.01 0.02 61 E C C 61.20 11.54 11.57 24.06 116.10 39.49 -127.45 101.25 99.30 0.16 0.54 75.92 22.55 0.77 0.48 0.07 0.00 0.04 0.18 62 P C S 95.00 5.43 15.13 22.53 94.79 -172.30 -74.46 -17.32 99.72 0.16 0.12 41.31 57.30 1.16 0.05 0.04 0.00 0.05 0.09 63 D C C 75.51 4.57 18.90 24.30 111.13 87.41 -91.73 116.72 97.77 1.62 0.61 60.57 36.21 0.64 0.47 0.12 0.00 0.26 1.73 64 V H H 36.58 18.90 11.95 30.48 93.17 -154.14 -62.95 -36.33 5.53 0.04 94.43 1.27 1.16 3.22 91.97 2.33 0.01 0.02 0.02 65 K H H 130.64 3.30 19.12 23.23 91.52 55.98 -62.99 -41.02 3.41 0.02 96.57 0.56 0.38 2.40 94.54 2.09 0.01 0.01 0.01 66 K H H 102.15 2.99 20.76 23.24 91.94 48.52 -65.54 -40.19 1.87 0.04 98.09 0.57 0.25 1.05 95.66 2.43 0.00 0.03 0.01 67 L H H 8.86 18.82 13.60 33.30 91.89 51.08 -63.95 -43.10 1.15 0.03 98.82 0.39 0.18 0.60 97.67 1.13 0.00 0.02 0.01 68 E H H 40.16 14.24 15.11 29.96 91.77 51.58 -63.36 -41.36 1.55 0.04 98.41 0.42 0.21 0.93 97.15 1.26 0.01 0.02 0.01 69 E H H 139.18 1.23 20.34 19.90 92.04 50.44 -64.90 -39.05 3.32 0.03 96.65 0.37 0.26 2.72 94.94 1.67 0.01 0.01 0.01 70 Q H H 97.42 6.14 17.35 24.40 92.47 49.78 -70.04 -32.78 7.41 0.03 92.56 0.25 0.53 6.99 91.09 1.09 0.03 0.01 0.01 71 L C H 26.39 17.95 10.75 28.35 98.50 43.37 -95.57 2.26 50.49 0.38 49.13 3.35 11.35 34.63 48.25 1.86 0.11 0.09 0.34 72 Q C T 144.69 1.60 18.23 19.69 94.46 -117.99 57.34 41.52 88.75 0.34 10.90 8.07 6.07 75.11 2.47 7.80 0.00 0.15 0.33 73 G C T 45.99 6.58 14.82 22.66 94.58 -43.77 73.74 7.86 86.78 0.19 13.04 2.13 8.13 76.04 1.21 12.22 0.00 0.10 0.17 74 G C T 32.77 9.92 16.25 26.59 98.61 -79.86 83.47 4.11 86.85 0.88 12.27 16.34 26.69 43.02 1.34 11.64 0.00 0.38 0.58 75 Q C C 76.38 7.46 20.90 28.90 111.40 133.10 -84.69 122.36 91.87 3.74 4.39 84.56 5.72 0.93 3.54 0.77 0.00 0.88 3.61 76 I H H 29.35 20.90 14.67 34.98 93.83 -148.32 -62.52 -40.63 1.35 0.00 98.65 0.28 0.16 0.70 98.37 0.48 0.00 0.00 0.00 77 E H H 100.57 6.87 21.70 29.09 91.74 54.35 -63.22 -40.48 0.41 0.00 99.59 0.04 0.02 0.27 99.14 0.53 0.00 0.00 0.00 78 E H H 85.63 4.89 23.11 28.16 91.71 48.95 -65.50 -40.74 0.14 0.00 99.86 0.01 0.01 0.09 99.46 0.43 0.00 0.00 0.00 79 V H H 8.55 20.47 17.45 38.19 91.98 50.22 -63.86 -43.35 0.06 0.00 99.94 0.01 0.00 0.03 99.90 0.05 0.00 0.00 0.00 80 I H H 32.54 16.92 20.29 36.81 91.77 50.12 -63.68 -42.75 0.06 0.00 99.94 0.01 0.00 0.03 99.94 0.02 0.00 0.00 0.00 81 L H H 82.10 3.91 24.33 27.94 91.55 49.71 -63.79 -42.34 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 82 Q H H 64.24 8.59 22.54 31.60 91.84 49.39 -64.87 -41.50 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 83 A H H 7.22 20.19 17.46 38.05 91.62 50.94 -63.90 -41.98 0.22 0.00 99.78 0.01 0.01 0.14 99.81 0.03 0.00 0.00 0.00 84 E H H 87.47 7.69 22.92 30.98 91.64 51.17 -63.28 -41.56 0.17 0.00 99.83 0.01 0.01 0.10 99.85 0.02 0.00 0.00 0.00 85 N H H 83.20 3.42 23.87 26.72 91.85 49.57 -64.75 -40.97 0.21 0.00 99.79 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 86 E H H 42.03 14.41 19.29 33.98 92.21 50.63 -64.88 -41.42 0.24 0.00 99.76 0.02 0.01 0.16 99.77 0.05 0.00 0.00 0.00 87 L H H 44.29 13.56 19.17 32.95 91.98 50.97 -63.97 -41.08 0.22 0.00 99.78 0.02 0.01 0.15 99.77 0.06 0.00 0.00 0.00 88 S H H 55.38 3.10 22.37 24.86 91.57 50.71 -64.06 -41.78 0.54 0.00 99.46 0.03 0.02 0.40 99.47 0.08 0.00 0.00 0.00 89 L H H 59.91 7.20 19.82 27.93 91.89 49.83 -65.02 -41.12 0.60 0.00 99.40 0.04 0.02 0.46 99.39 0.09 0.00 0.00 0.00 90 A H H 18.25 14.48 15.71 31.30 91.83 51.86 -63.14 -41.62 0.25 0.00 99.75 0.03 0.01 0.15 99.71 0.10 0.00 0.00 0.00 91 R H H 118.45 4.35 19.88 24.74 91.74 51.19 -63.74 -40.25 0.43 0.00 99.57 0.03 0.02 0.31 99.20 0.44 0.00 0.00 0.00 92 K H H 110.66 2.91 18.81 21.65 91.74 50.60 -65.05 -39.69 0.98 0.00 99.02 0.05 0.04 0.80 97.98 1.14 0.00 0.00 0.00 93 M H H 54.55 12.53 13.40 26.69 92.35 51.52 -67.39 -33.06 2.71 0.00 97.28 0.12 0.11 2.39 93.96 3.41 0.00 0.00 0.00 94 L H H 84.10 9.14 13.75 23.81 91.66 57.58 -68.19 -25.39 31.34 0.02 68.64 0.41 0.67 31.52 63.34 4.01 0.02 0.01 0.02 95 R C T 181.63 0.91 16.92 16.17 95.41 50.09 -88.77 -7.50 60.83 0.03 39.14 0.92 1.66 58.60 35.67 3.10 0.01 0.01 0.03 96 W C C 104.27 9.49 8.64 19.42 116.65 98.41 -79.72 140.16 94.22 0.64 5.14 51.47 38.68 3.80 4.20 0.87 0.00 0.14 0.85 97 K C C 136.98 2.97 14.75 18.86 112.91 -143.77 -96.22 117.76 98.39 0.73 0.88 94.80 2.61 1.02 0.26 0.48 0.00 0.27 0.57 98 P C T 65.69 11.76 10.35 22.58 95.97 -135.29 -67.30 -18.51 97.15 0.63 2.22 18.67 14.36 63.69 0.19 2.47 0.00 0.33 0.30 99 W C T 150.42 6.87 12.39 20.09 101.89 47.99 -92.67 18.16 95.84 1.56 2.59 18.09 14.74 62.65 0.27 2.76 0.00 0.86 0.64 100 E C C 109.62 4.12 12.28 18.06 117.91 124.98 -87.43 142.14 97.64 1.84 0.52 49.56 47.33 0.98 0.13 0.34 0.00 0.76 0.89 101 P C C 97.95 3.63 11.69 17.01 113.93 -100.74 -65.78 146.40 96.92 2.07 1.00 88.60 5.73 2.57 0.23 0.79 0.00 1.17 0.91 102 L C C 98.75 7.72 8.25 17.18 109.74 -110.92 -77.16 132.05 92.84 5.66 1.51 81.46 8.18 2.72 0.42 1.17 0.00 2.63 3.42 103 V C C 111.56 3.10 9.77 14.40 110.34 -155.91 -96.71 98.66 92.35 6.31 1.34 75.70 13.77 2.59 0.42 0.95 0.00 3.00 3.56 104 E C C 139.13 2.24 10.09 13.87 119.04 75.86 -103.15 143.32 94.96 4.25 0.79 68.78 24.48 1.97 0.23 0.53 0.00 2.02 1.99 105 E C C 153.66 1.46 11.77 14.25 114.60 -100.25 -81.06 135.32 98.90 1.02 0.07 88.79 10.03 0.20 0.03 0.04 0.00 0.46 0.45 106 P C C 67.08 10.37 7.18 18.06 116.73 -107.47 -65.51 149.99 99.84 0.13 0.02 98.64 1.17 0.07 0.01 0.01 0.00 0.05 0.06 107 P C C 81.73 3.34 10.72 15.78 115.03 -102.50 -64.47 151.34 99.41 0.25 0.34 97.86 1.04 0.59 0.07 0.17 0.00 0.08 0.18 108 A C T 95.75 1.09 10.58 12.20 108.45 -99.38 -66.12 141.75 97.61 0.30 2.09 9.61 21.13 66.62 0.20 2.10 0.00 0.14 0.20 109 N C T 122.58 2.07 10.11 13.35 97.96 14.79 31.39 39.83 96.96 0.57 2.46 20.46 13.47 62.79 0.35 2.34 0.00 0.28 0.31 110 Q C C 102.36 5.58 8.89 16.30 99.74 151.66 -77.62 -15.43 91.59 1.49 6.92 40.73 18.38 31.40 0.81 7.14 0.00 0.65 0.87 111 W C C 145.26 6.67 8.63 16.46 108.06 49.45 -94.74 89.70 92.78 1.96 5.26 43.29 17.04 31.82 0.70 5.17 0.00 0.89 1.09 112 K C C 143.96 2.12 10.73 14.41 117.23 145.82 -99.08 138.16 93.12 3.23 3.65 62.71 23.67 6.21 0.80 3.05 0.00 1.29 2.28 113 W C C 172.70 4.03 7.34 13.31 114.68 -107.39 -81.33 140.34 97.54 1.51 0.95 48.55 39.71 9.24 0.20 0.79 0.00 0.68 0.82 114 P C C 106.50 2.11 8.94 12.36 108.04 -10.02 -72.88 127.50 99.07 0.49 0.44 87.56 3.98 7.60 0.09 0.27 0.00 0.26 0.23 115 I C C 117.21 4.23 9.59 15.47 107.91 -133.95 -86.41 96.36 99.91 0.08 0.01 99.81 0.10 0.04 0.00 0.00 0.00 0.03 0.01