# 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 115.83 5.70 11.41 18.69 114.04 -152.42 -93.65 128.73 99.79 0.17 0.05 99.69 0.11 0.08 0.02 0.00 0.00 0.08 0.03 1 A C C 78.76 4.25 9.36 15.27 113.00 -151.05 -90.93 130.43 90.12 3.26 6.62 78.42 1.86 10.94 2.68 2.72 0.00 2.18 1.20 2 G C C 53.07 3.14 10.20 14.84 113.24 32.22 -112.84 161.18 85.89 4.91 9.21 47.65 18.18 20.71 2.69 6.10 0.00 3.15 1.52 3 L C C 117.82 3.98 9.33 14.94 112.00 -112.40 -90.22 121.69 78.38 10.22 11.40 55.42 13.89 9.12 3.82 7.62 0.01 7.60 2.52 4 L C C 111.65 4.61 9.86 16.25 113.04 -150.42 -94.66 126.24 74.57 15.79 9.64 53.61 12.84 7.73 3.84 5.89 0.02 12.29 3.77 5 K C C 126.44 5.52 11.15 18.43 119.42 -157.24 -106.66 133.81 74.52 19.11 6.36 55.44 12.56 5.88 2.70 3.80 0.01 15.44 4.17 6 K C C 136.49 4.29 13.08 19.28 118.03 -146.78 -100.74 135.51 76.70 20.70 2.60 62.45 10.67 2.62 1.33 1.43 0.01 16.51 4.98 7 T C C 67.25 10.36 9.77 20.82 119.28 -149.60 -102.11 143.57 77.68 20.62 1.70 66.96 7.46 2.07 0.89 0.90 0.00 15.03 6.68 8 T C C 90.48 4.87 13.77 19.97 109.93 -162.27 -103.61 61.32 80.32 16.27 3.40 50.38 21.51 8.77 1.38 2.05 0.02 9.59 6.30 9 G C S 47.47 5.46 14.83 21.20 107.89 -55.24 80.67 -69.12 86.73 4.22 9.05 15.72 40.49 31.60 2.08 5.97 0.02 2.54 1.56 10 L C T 82.75 11.13 12.46 23.68 106.71 18.30 -93.55 57.64 79.01 8.90 12.09 21.08 27.73 31.24 3.03 8.19 0.06 5.30 3.36 11 V C T 89.60 7.46 14.11 22.70 110.87 -120.79 -79.28 124.74 77.83 10.77 11.40 14.09 16.87 47.02 3.16 7.91 0.11 7.35 3.48 12 G C T 48.32 5.33 17.09 23.28 98.08 14.32 84.78 -1.59 80.13 12.69 7.19 20.81 18.93 41.58 1.68 5.10 0.03 9.69 2.17 13 L C C 54.74 14.04 13.48 27.91 117.53 117.91 -89.76 134.08 65.70 29.69 4.61 50.60 9.61 4.48 2.00 2.83 0.02 24.09 6.37 14 A C C 52.40 9.28 19.09 28.78 112.08 -120.99 -77.74 134.21 55.09 40.89 4.02 42.61 7.71 3.91 2.32 2.15 0.03 34.43 6.85 15 V C C 57.72 14.84 16.14 30.67 116.40 -143.34 -102.17 131.60 60.64 36.48 2.88 43.91 11.74 3.93 1.60 1.69 0.04 28.13 8.96 16 C C C 27.70 15.39 13.66 29.48 124.01 -147.97 -111.98 145.01 76.99 21.99 1.02 69.11 6.16 1.20 0.62 0.49 0.00 16.23 6.18 17 E C S 145.93 2.31 18.66 21.52 94.97 -134.09 -71.40 -25.99 99.32 0.46 0.22 5.97 91.54 2.01 0.08 0.06 0.00 0.23 0.12 18 T C C 62.79 6.69 18.79 26.36 110.93 26.26 -127.52 83.68 99.09 0.47 0.44 53.07 44.95 1.15 0.29 0.11 0.00 0.15 0.28 19 P H H 13.92 21.24 14.59 36.12 93.16 170.62 -62.31 -36.49 5.79 0.03 94.18 2.05 0.92 2.87 92.28 1.85 0.00 0.01 0.01 20 H H H 52.33 16.57 18.60 34.55 91.55 55.54 -62.89 -41.06 2.48 0.01 97.51 0.32 0.22 1.80 95.83 1.82 0.01 0.00 0.00 21 E H H 101.38 3.34 23.63 26.35 91.91 49.63 -65.76 -40.47 1.26 0.01 98.72 0.25 0.11 0.80 96.91 1.92 0.00 0.01 0.00 22 R H H 80.38 10.20 20.97 31.54 91.79 49.46 -65.13 -41.39 0.75 0.00 99.25 0.19 0.07 0.37 98.96 0.41 0.00 0.00 0.00 23 L H H 5.75 24.26 16.94 41.19 91.75 49.89 -64.73 -41.77 0.37 0.00 99.63 0.07 0.02 0.18 99.62 0.10 0.00 0.00 0.00 24 K H H 84.95 11.68 21.31 32.70 91.26 52.02 -62.48 -41.48 0.14 0.00 99.86 0.01 0.01 0.08 99.84 0.06 0.00 0.00 0.00 25 I H H 85.41 3.38 24.12 26.77 91.71 49.56 -64.38 -42.51 0.11 0.00 99.89 0.01 0.00 0.07 99.87 0.05 0.00 0.00 0.00 26 L H H 26.97 14.93 20.78 35.98 91.68 49.03 -64.47 -42.39 0.16 0.00 99.84 0.01 0.00 0.11 99.82 0.05 0.00 0.00 0.00 27 Y H H 20.63 21.15 18.42 39.16 92.09 50.29 -64.12 -41.35 0.25 0.00 99.75 0.02 0.01 0.17 99.77 0.03 0.00 0.00 0.00 28 T H H 60.91 6.22 22.44 29.07 91.53 51.26 -64.10 -41.05 0.16 0.00 99.84 0.01 0.00 0.10 99.85 0.02 0.00 0.00 0.00 29 K H H 98.52 4.65 23.31 27.91 91.73 50.20 -64.99 -41.28 0.16 0.00 99.84 0.01 0.00 0.11 99.84 0.03 0.00 0.00 0.00 30 I H H 14.30 19.65 18.64 38.21 91.93 49.42 -64.66 -42.98 0.23 0.00 99.77 0.01 0.01 0.15 99.76 0.06 0.00 0.00 0.00 31 L H H 36.62 15.26 19.10 34.37 91.53 50.78 -63.44 -40.68 0.21 0.00 99.79 0.01 0.01 0.14 99.70 0.13 0.00 0.00 0.00 32 D H H 91.52 2.08 23.51 24.23 91.89 50.72 -64.53 -40.65 0.61 0.00 99.39 0.03 0.02 0.50 98.89 0.56 0.00 0.00 0.00 33 V H H 37.26 10.18 19.01 30.44 92.04 49.27 -65.64 -41.23 1.25 0.00 98.75 0.06 0.05 1.07 97.16 1.67 0.00 0.00 0.00 34 L H H 15.72 21.33 13.47 34.61 91.52 53.07 -65.35 -34.90 2.25 0.00 97.74 0.10 0.11 1.95 91.97 5.86 0.00 0.00 0.00 35 G H H 45.82 5.66 17.85 24.76 90.74 60.32 -67.54 -20.57 38.89 0.02 61.10 0.40 0.70 39.91 53.33 5.62 0.01 0.01 0.02 36 H C T 146.05 1.61 18.89 19.73 94.73 53.36 -89.66 -8.06 67.95 0.03 32.02 0.89 1.95 66.97 24.72 5.43 0.00 0.01 0.04 37 I C S 31.28 18.32 7.36 24.56 117.94 98.21 -79.53 140.61 99.78 0.11 0.11 10.19 89.43 0.21 0.06 0.01 0.00 0.02 0.08 38 P C C 69.62 3.39 16.59 20.66 113.07 -103.30 -62.95 143.51 99.77 0.14 0.09 99.19 0.48 0.15 0.02 0.03 0.00 0.04 0.10 39 K C T 143.93 5.55 10.94 18.63 91.79 -122.46 -61.33 -28.29 99.51 0.07 0.42 1.95 8.83 88.77 0.05 0.31 0.00 0.04 0.04 40 N C T 132.75 0.88 15.45 15.13 94.62 57.47 -89.01 2.07 99.47 0.06 0.47 2.00 7.94 89.55 0.05 0.39 0.00 0.03 0.03 41 A C S 26.85 10.76 9.38 21.95 119.24 112.77 -78.59 150.70 95.88 0.97 3.15 13.30 82.09 0.64 2.61 0.17 0.00 0.10 1.08 42 A H H 67.07 3.28 17.93 21.63 91.57 -119.69 -60.53 -36.19 6.64 0.01 93.36 0.27 0.75 5.90 92.12 0.94 0.01 0.00 0.01 43 Y H H 63.84 13.37 15.51 29.33 92.16 52.92 -65.31 -39.02 3.50 0.00 96.50 0.23 0.24 2.95 95.48 1.10 0.00 0.00 0.00 44 R H H 63.76 14.55 15.32 29.91 91.65 53.43 -63.22 -41.39 0.45 0.00 99.55 0.08 0.04 0.26 99.16 0.47 0.00 0.00 0.00 45 K H H 125.72 2.31 22.02 23.60 91.80 50.03 -64.79 -41.22 0.24 0.00 99.76 0.04 0.02 0.14 99.68 0.12 0.00 0.00 0.00 46 Y H H 100.07 5.97 21.57 27.92 92.06 48.73 -65.77 -41.65 0.24 0.00 99.76 0.03 0.01 0.15 99.73 0.07 0.00 0.00 0.00 47 T H H 10.58 19.84 16.48 36.46 92.06 49.34 -65.14 -41.93 0.15 0.00 99.85 0.01 0.01 0.10 99.84 0.04 0.00 0.00 0.00 48 E H H 68.53 11.11 20.14 31.53 91.63 51.87 -62.89 -41.62 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 49 Q H H 102.06 2.22 24.52 25.12 91.80 49.96 -64.50 -41.55 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 39.27 11.74 20.96 33.43 91.92 48.88 -64.72 -42.56 0.18 0.00 99.82 0.01 0.00 0.11 99.85 0.02 0.00 0.00 0.00 51 T H H 10.57 20.80 17.12 37.91 91.73 49.84 -64.10 -42.59 0.18 0.00 99.82 0.02 0.01 0.10 99.85 0.01 0.00 0.00 0.00 52 N H H 82.42 5.19 23.11 28.55 91.50 50.91 -64.04 -40.73 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 53 E H H 99.18 3.38 23.97 26.65 91.66 49.93 -64.70 -41.64 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 54 K H H 32.95 17.55 19.28 36.47 92.06 49.71 -64.77 -41.88 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 55 L H H 33.89 16.03 18.91 34.89 91.51 51.56 -62.70 -41.50 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 56 S H H 62.01 2.20 24.24 24.78 91.33 50.83 -63.77 -40.89 0.17 0.00 99.83 0.01 0.00 0.13 99.82 0.04 0.00 0.00 0.00 57 M H H 52.98 8.67 19.85 29.74 91.80 50.38 -64.86 -41.98 0.16 0.00 99.84 0.01 0.01 0.13 99.75 0.11 0.00 0.00 0.00 58 V H H 10.22 21.88 13.27 35.05 91.80 50.71 -65.15 -39.87 0.44 0.00 99.56 0.02 0.02 0.36 99.14 0.46 0.00 0.00 0.00 59 K H H 128.49 5.16 18.97 25.37 91.45 52.28 -67.67 -30.18 5.27 0.00 94.73 0.09 0.13 5.25 94.00 0.53 0.00 0.00 0.00 60 A H H 79.47 1.76 18.74 19.48 94.77 47.51 -82.49 -21.48 21.45 0.02 78.53 0.63 1.30 19.24 78.14 0.65 0.01 0.01 0.02 61 E C C 59.43 11.99 11.46 24.29 116.08 45.45 -125.11 104.14 99.30 0.17 0.52 74.57 23.92 0.75 0.47 0.07 0.00 0.04 0.19 62 P C S 96.78 5.05 15.35 22.33 94.71 -170.69 -73.79 -17.47 99.71 0.17 0.12 42.68 55.94 1.13 0.05 0.04 0.00 0.06 0.09 63 D C C 75.51 4.58 18.85 24.28 111.69 87.40 -93.24 117.65 97.74 1.67 0.59 62.36 34.38 0.63 0.44 0.12 0.00 0.28 1.79 64 V H H 35.95 19.04 11.93 30.58 93.13 -154.03 -62.92 -36.18 5.74 0.04 94.22 1.35 1.18 3.32 91.63 2.45 0.01 0.02 0.02 65 K H H 129.90 3.37 19.17 23.37 91.43 56.35 -63.01 -41.03 3.65 0.02 96.32 0.56 0.41 2.62 94.14 2.23 0.01 0.01 0.01 66 K H H 100.76 3.00 20.73 23.24 91.89 48.54 -65.41 -40.16 2.12 0.05 97.82 0.64 0.29 1.21 95.15 2.65 0.01 0.04 0.01 67 L H H 8.70 18.74 13.62 33.27 91.90 50.88 -63.96 -43.07 1.28 0.04 98.68 0.44 0.21 0.67 97.42 1.22 0.01 0.03 0.01 68 E H H 39.01 14.34 15.00 29.97 91.80 51.41 -63.37 -41.38 1.68 0.05 98.27 0.45 0.23 1.01 96.87 1.38 0.01 0.03 0.01 69 E H H 139.05 1.24 20.18 19.83 91.98 50.93 -64.85 -39.22 3.67 0.03 96.30 0.42 0.29 3.00 94.38 1.86 0.02 0.02 0.01 70 R H H 126.06 5.74 17.41 24.07 92.72 49.90 -70.39 -33.58 7.46 0.04 92.50 0.29 0.57 6.95 90.88 1.23 0.04 0.01 0.02 71 L H H 27.36 17.72 10.74 28.11 98.30 43.84 -96.91 2.74 45.96 0.43 53.61 3.47 10.64 31.11 52.41 1.77 0.12 0.11 0.37 72 Q C T 144.33 1.65 18.09 19.69 94.83 -118.28 57.53 41.61 89.01 0.47 10.51 12.85 6.93 69.59 2.87 7.14 0.00 0.21 0.40 73 G C T 46.59 6.41 14.69 22.34 94.40 -45.37 73.78 7.61 87.29 0.23 12.48 2.60 9.47 74.95 1.43 11.23 0.00 0.11 0.20 74 G C T 33.57 9.50 16.22 26.21 98.97 -74.00 84.02 3.48 87.03 0.81 12.16 13.48 25.92 47.26 1.56 10.86 0.00 0.36 0.56 75 Q C C 76.90 7.38 20.71 28.62 112.37 131.05 -84.19 124.82 89.64 3.70 6.66 79.13 8.39 1.42 5.36 1.33 0.00 0.93 3.45 76 I H H 29.93 20.74 14.58 34.71 93.95 -146.12 -62.58 -40.01 1.69 0.00 98.31 0.37 0.24 0.88 97.97 0.53 0.00 0.00 0.00 77 E H H 100.77 6.81 21.72 29.02 91.80 54.42 -63.25 -40.64 0.52 0.00 99.48 0.06 0.03 0.34 99.02 0.55 0.00 0.00 0.00 78 E H H 84.85 4.92 23.05 28.13 91.68 48.91 -65.57 -40.91 0.19 0.00 99.81 0.02 0.01 0.12 99.34 0.50 0.00 0.00 0.00 79 V H H 8.61 20.34 17.47 38.10 92.00 50.18 -63.98 -43.33 0.08 0.00 99.91 0.01 0.00 0.04 99.87 0.07 0.00 0.00 0.00 80 I H H 32.44 16.84 20.30 36.77 91.77 50.19 -63.61 -42.76 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 81 L H H 82.25 3.86 24.38 27.92 91.49 49.58 -63.71 -42.38 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 82 Q H H 64.42 8.61 22.53 31.59 91.84 49.42 -64.78 -41.57 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 83 A H H 7.29 20.23 17.47 38.10 91.76 50.92 -64.03 -41.92 0.27 0.00 99.73 0.02 0.01 0.18 99.76 0.03 0.00 0.00 0.00 84 E H H 87.57 7.67 22.86 30.89 91.65 51.22 -63.15 -41.57 0.19 0.00 99.81 0.01 0.01 0.11 99.84 0.02 0.00 0.00 0.00 85 N H H 83.79 3.39 23.84 26.67 91.82 49.54 -64.72 -41.02 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 41.72 14.51 19.18 33.96 92.17 50.58 -64.86 -41.38 0.25 0.00 99.75 0.02 0.01 0.17 99.75 0.05 0.00 0.00 0.00 87 L H H 45.19 13.44 19.11 32.78 91.96 51.05 -64.08 -40.87 0.23 0.00 99.77 0.02 0.01 0.15 99.76 0.06 0.00 0.00 0.00 88 S H H 55.77 3.03 22.32 24.69 91.57 50.68 -64.00 -41.74 0.55 0.00 99.45 0.04 0.02 0.41 99.44 0.09 0.00 0.00 0.00 89 L H H 59.57 7.33 19.68 27.92 91.91 49.89 -65.13 -40.97 0.75 0.00 99.25 0.04 0.03 0.59 99.23 0.11 0.00 0.00 0.00 90 A H H 19.05 14.53 15.67 31.23 91.84 52.17 -63.53 -41.52 0.41 0.00 99.59 0.04 0.02 0.25 99.56 0.13 0.00 0.00 0.00 91 R H H 121.08 4.24 19.87 24.61 91.72 51.47 -63.87 -40.22 0.66 0.00 99.34 0.06 0.03 0.46 98.94 0.50 0.00 0.00 0.00 92 K H H 111.73 2.97 18.79 21.74 91.81 50.65 -65.03 -39.75 1.22 0.00 98.78 0.08 0.05 0.94 97.60 1.32 0.00 0.00 0.00 93 M H H 53.77 12.89 13.42 26.95 92.60 51.42 -67.45 -33.23 2.60 0.00 97.39 0.18 0.13 2.12 94.24 3.32 0.00 0.00 0.00 94 I H H 84.93 9.10 14.08 24.04 92.28 54.86 -69.37 -28.17 22.41 0.02 77.57 0.51 0.72 21.45 73.65 3.62 0.02 0.01 0.02 95 Q C T 141.61 1.02 16.94 16.48 95.59 48.63 -89.46 -7.21 53.86 0.05 46.09 1.24 1.93 50.02 44.06 2.68 0.01 0.02 0.04 96 W C C 102.15 9.77 8.75 19.77 116.52 100.18 -79.59 138.47 94.13 0.70 5.18 56.56 33.19 4.08 4.31 0.86 0.00 0.16 0.85 97 K C C 131.41 3.40 14.82 19.45 113.64 -150.36 -101.73 116.46 98.37 0.84 0.79 95.06 2.50 0.85 0.26 0.38 0.00 0.29 0.67 98 P C T 64.86 11.93 10.43 22.78 95.42 -134.29 -65.94 -19.22 97.12 0.70 2.18 19.22 13.17 64.45 0.23 2.23 0.00 0.37 0.34 99 W C T 154.77 6.25 12.63 19.81 99.59 49.51 -92.16 11.12 96.51 1.17 2.32 16.63 15.01 64.55 0.25 2.40 0.00 0.66 0.49 100 E C S 108.84 4.19 12.10 17.99 117.19 116.23 -87.37 139.35 97.60 1.69 0.71 44.74 51.80 1.27 0.18 0.44 0.00 0.67 0.90 101 P C C 97.01 3.76 11.46 16.98 113.47 -100.39 -66.52 145.60 96.56 1.98 1.46 87.25 6.17 3.09 0.34 1.12 0.00 1.10 0.92 102 L C C 100.78 7.17 8.39 16.90 108.81 -114.07 -77.52 128.43 91.41 6.45 2.13 79.30 8.33 3.22 0.61 1.61 0.00 3.02 3.91 103 V C C 109.65 3.35 9.44 14.40 110.03 -146.88 -96.67 92.14 91.63 6.52 1.85 73.26 14.74 3.24 0.60 1.30 0.00 3.17 3.69 104 E C C 139.60 2.18 10.02 13.74 118.40 30.61 -99.18 143.00 94.89 4.01 1.10 64.96 27.63 2.56 0.33 0.72 0.00 1.91 1.90 105 E C C 153.96 1.47 11.50 14.05 114.08 -100.30 -80.03 134.34 98.95 0.96 0.09 87.35 11.47 0.23 0.03 0.05 0.00 0.42 0.45 106 P C C 67.18 10.06 6.99 17.63 116.74 -108.02 -65.69 150.29 99.85 0.13 0.02 98.56 1.25 0.08 0.01 0.01 0.00 0.05 0.06 107 P C C 83.98 2.96 10.79 15.34 115.01 -102.22 -64.42 151.53 99.50 0.23 0.28 98.02 1.03 0.53 0.06 0.13 0.00 0.07 0.16 108 A C T 96.94 0.99 10.33 11.80 108.43 -97.33 -65.35 142.34 97.96 0.25 1.78 8.95 19.43 69.33 0.16 1.83 0.00 0.12 0.17 109 S C T 87.69 2.07 9.77 13.06 98.54 15.90 40.32 35.14 97.48 0.48 2.04 17.64 12.53 67.08 0.28 1.98 0.00 0.24 0.26 110 Q C C 106.06 4.91 8.91 15.69 99.61 148.89 -77.43 -14.50 93.12 1.58 5.29 44.17 19.69 28.26 0.66 5.56 0.00 0.69 0.97 111 W C C 143.71 6.62 8.33 16.16 110.30 50.78 -98.90 90.23 93.72 2.27 4.01 48.56 16.73 27.91 0.58 3.92 0.00 1.04 1.26 112 K C C 145.34 1.91 10.86 14.23 117.81 146.24 -98.77 139.10 94.10 3.52 2.38 68.95 20.24 4.46 0.58 1.89 0.00 1.41 2.46 113 W C C 171.39 4.25 7.23 13.45 114.81 -109.07 -79.56 140.56 97.63 1.61 0.76 56.15 33.73 7.77 0.17 0.61 0.00 0.74 0.84 114 P C C 105.89 2.20 8.77 12.36 108.94 -2.36 -72.37 129.90 99.22 0.43 0.35 88.20 4.07 7.01 0.07 0.21 0.00 0.23 0.20 115 I C C 121.21 3.53 9.72 14.93 107.99 -138.09 -86.54 113.60 99.91 0.08 0.01 99.78 0.12 0.05 0.00 0.00 0.00 0.03 0.01