# 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 L C C 92.89 8.26 12.49 21.79 113.06 -158.78 -93.93 123.11 99.49 0.46 0.05 99.51 0.11 0.05 0.02 0.00 0.00 0.27 0.04 1 L C C 107.23 5.15 10.91 17.71 112.24 -162.38 -94.35 123.69 82.95 14.50 2.55 78.85 1.91 2.17 1.44 0.79 0.00 11.48 3.36 2 K C C 132.88 4.47 10.68 17.08 118.43 -152.81 -100.16 137.12 76.07 21.17 2.76 58.55 12.24 4.51 1.23 1.63 0.01 18.09 3.74 3 K C C 138.68 3.90 12.48 18.37 117.75 -142.35 -101.70 136.49 77.03 20.84 2.12 61.66 11.86 2.75 0.92 1.34 0.00 17.28 4.20 4 T C C 63.66 11.26 9.45 21.16 119.54 -142.77 -99.99 143.42 78.97 19.27 1.75 67.91 7.76 2.32 0.80 1.03 0.00 13.71 6.46 5 T C C 89.34 4.98 14.15 20.44 106.28 -160.71 -99.27 24.46 82.66 14.34 3.01 54.34 19.72 9.00 1.08 1.97 0.01 8.36 5.53 6 G C S 48.11 5.51 15.15 21.60 105.35 -77.64 80.83 -6.35 90.48 3.98 5.54 16.85 46.04 28.30 1.09 3.94 0.01 2.43 1.35 7 L C S 72.89 12.18 11.89 24.15 110.65 63.75 -97.10 103.04 80.91 10.90 8.19 24.82 32.75 24.34 1.94 5.70 0.06 5.68 4.71 8 V C T 92.56 7.15 14.03 22.45 111.04 -144.45 -77.78 127.54 80.42 10.67 8.91 13.68 17.13 49.73 2.32 6.35 0.09 6.89 3.81 9 G C T 50.10 4.66 17.15 22.74 97.64 15.58 84.67 -2.01 84.44 9.50 6.07 18.56 19.02 47.53 1.31 4.56 0.02 7.11 1.88 10 L C C 53.56 14.56 12.78 27.60 116.75 117.46 -91.89 135.92 68.02 27.21 4.77 53.08 9.69 4.17 1.99 3.10 0.02 21.59 6.36 11 A C C 54.72 8.63 19.13 28.26 112.46 -120.82 -74.96 136.65 57.20 38.84 3.95 46.03 6.86 3.34 2.34 2.05 0.02 31.93 7.43 12 V C C 60.00 14.83 15.90 30.36 118.15 -144.43 -101.07 133.03 62.35 34.74 2.91 46.21 11.56 3.68 1.61 1.69 0.03 26.41 8.80 13 C C C 26.80 15.48 13.14 29.07 124.23 -142.98 -113.39 144.83 79.56 19.44 1.00 73.04 5.14 1.08 0.60 0.45 0.00 14.41 5.28 14 E C S 148.28 2.05 18.58 21.04 94.62 -137.18 -71.89 -27.78 99.42 0.40 0.18 7.17 90.96 1.46 0.07 0.05 0.00 0.19 0.11 15 T C C 62.02 6.61 18.99 26.49 112.40 22.54 -127.19 93.84 99.28 0.36 0.36 49.45 49.14 0.76 0.24 0.08 0.00 0.10 0.23 16 P H H 14.25 21.41 14.71 36.36 93.00 -168.39 -62.58 -36.26 5.80 0.03 94.17 1.67 0.94 3.18 91.93 2.24 0.01 0.01 0.01 17 H H H 52.21 16.65 18.56 34.56 91.69 55.78 -62.85 -40.92 2.67 0.01 97.32 0.31 0.23 2.00 95.15 2.30 0.01 0.00 0.00 18 E H H 100.10 3.42 23.58 26.43 91.80 49.66 -65.74 -40.32 1.39 0.01 98.60 0.26 0.12 0.89 96.32 2.39 0.00 0.01 0.00 19 R H H 78.53 10.50 20.90 31.74 91.78 49.58 -65.10 -41.35 0.86 0.01 99.13 0.22 0.08 0.45 98.73 0.52 0.00 0.00 0.00 20 L H H 5.49 24.45 16.97 41.44 91.73 49.89 -64.70 -41.71 0.43 0.00 99.57 0.08 0.03 0.22 99.54 0.13 0.00 0.00 0.00 21 K H H 85.96 11.56 21.46 32.73 91.25 51.99 -62.43 -41.44 0.16 0.00 99.84 0.02 0.01 0.09 99.81 0.08 0.00 0.00 0.00 22 I H H 84.38 3.54 24.11 27.02 91.69 49.53 -64.24 -42.49 0.12 0.00 99.88 0.01 0.00 0.07 99.84 0.08 0.00 0.00 0.00 23 L H H 26.22 15.21 20.77 36.20 91.75 49.03 -64.41 -42.46 0.19 0.00 99.81 0.01 0.00 0.13 99.78 0.07 0.00 0.00 0.00 24 Y H H 20.82 21.16 18.50 39.22 91.94 50.46 -64.38 -41.34 0.35 0.00 99.65 0.02 0.01 0.24 99.68 0.05 0.00 0.00 0.00 25 T H H 60.99 6.15 22.51 29.06 91.62 51.56 -64.15 -41.07 0.20 0.00 99.80 0.01 0.01 0.13 99.82 0.03 0.00 0.00 0.00 26 K H H 98.11 4.79 23.28 28.06 91.78 50.19 -65.01 -41.14 0.20 0.00 99.80 0.01 0.01 0.13 99.80 0.05 0.00 0.00 0.00 27 I H H 13.97 19.91 18.53 38.33 91.96 49.53 -64.53 -42.99 0.27 0.00 99.73 0.02 0.01 0.17 99.71 0.08 0.00 0.00 0.00 28 L H H 37.86 15.09 19.12 34.23 91.54 50.99 -63.47 -40.66 0.26 0.00 99.74 0.02 0.01 0.16 99.64 0.16 0.00 0.00 0.00 29 D H H 91.56 2.09 23.47 24.20 91.94 50.73 -64.65 -40.53 0.77 0.00 99.23 0.04 0.03 0.63 98.64 0.67 0.00 0.00 0.00 30 V H H 36.41 10.39 18.89 30.53 92.08 49.25 -65.73 -41.01 1.51 0.00 98.49 0.07 0.06 1.30 96.65 1.92 0.00 0.00 0.00 31 L H H 15.99 21.34 13.44 34.57 91.55 53.34 -65.32 -34.59 2.47 0.00 97.52 0.12 0.12 2.13 91.16 6.46 0.00 0.00 0.00 32 G H H 46.38 5.41 17.89 24.56 90.77 60.38 -67.67 -21.03 38.46 0.02 61.52 0.43 0.75 39.24 53.22 6.32 0.01 0.01 0.02 33 H C T 145.51 1.66 18.82 19.78 94.68 53.34 -89.70 -7.92 67.17 0.03 32.79 0.93 2.06 65.99 24.94 6.01 0.00 0.01 0.04 34 I C S 31.13 18.46 7.33 24.62 117.77 97.89 -79.35 140.30 99.77 0.11 0.12 10.42 89.18 0.22 0.07 0.02 0.00 0.02 0.08 35 P C C 69.08 3.52 16.45 20.75 113.11 -103.40 -63.01 143.53 99.78 0.13 0.10 99.16 0.50 0.17 0.02 0.03 0.00 0.04 0.09 36 K C T 145.76 5.16 11.13 18.49 92.06 -120.75 -61.62 -28.76 99.47 0.07 0.45 2.04 9.32 88.15 0.06 0.35 0.00 0.04 0.05 37 N C T 131.63 0.97 15.42 15.38 94.73 57.15 -89.33 2.64 99.42 0.06 0.51 2.22 8.08 89.15 0.06 0.43 0.00 0.04 0.04 38 A C S 26.67 10.93 9.50 22.19 119.40 114.13 -78.36 151.18 94.25 1.06 4.69 14.31 79.24 0.83 4.11 0.25 0.00 0.11 1.17 39 A H H 66.09 3.44 18.05 21.98 91.52 -119.34 -60.73 -36.00 6.83 0.01 93.16 0.28 0.72 6.16 91.72 1.11 0.01 0.00 0.01 40 Y H H 60.78 13.74 15.47 29.62 92.15 53.18 -65.39 -38.90 3.38 0.00 96.61 0.23 0.22 2.86 95.41 1.28 0.00 0.00 0.00 41 R H H 66.39 14.35 15.43 29.81 91.61 53.48 -63.11 -41.40 0.42 0.00 99.58 0.07 0.03 0.25 99.13 0.51 0.00 0.00 0.00 42 K H H 126.19 2.23 22.07 23.48 91.80 49.90 -64.86 -41.14 0.28 0.00 99.72 0.04 0.02 0.16 99.62 0.15 0.00 0.00 0.00 43 Y H H 98.02 6.23 21.44 28.10 92.08 48.89 -65.66 -41.46 0.33 0.00 99.67 0.05 0.02 0.21 99.63 0.09 0.00 0.00 0.00 44 T H H 10.62 19.97 16.32 36.39 92.10 49.42 -65.06 -41.80 0.20 0.00 99.80 0.02 0.01 0.13 99.80 0.04 0.00 0.00 0.00 45 E H H 70.98 10.75 20.19 31.24 91.65 52.09 -62.83 -41.48 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 46 Q H H 102.52 2.21 24.47 25.06 91.87 49.89 -64.59 -41.53 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 47 I H H 38.50 11.95 20.84 33.49 91.94 48.87 -64.71 -42.55 0.17 0.00 99.83 0.01 0.00 0.11 99.85 0.02 0.00 0.00 0.00 48 T H H 10.97 20.55 17.09 37.64 91.73 49.91 -63.96 -42.52 0.16 0.00 99.84 0.02 0.01 0.09 99.87 0.01 0.00 0.00 0.00 49 N H H 82.83 4.92 23.15 28.27 91.55 50.80 -64.18 -40.60 0.09 0.00 99.91 0.01 0.00 0.06 99.93 0.01 0.00 0.00 0.00 50 E H H 98.74 3.48 23.85 26.69 91.68 49.89 -64.78 -41.55 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 51 K H H 33.54 17.70 19.21 36.48 92.06 49.73 -64.77 -41.64 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 52 L H H 35.33 15.77 18.92 34.67 91.53 51.62 -62.78 -41.39 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 53 S H H 61.39 2.21 24.06 24.63 91.30 51.00 -63.68 -40.97 0.17 0.00 99.83 0.01 0.00 0.13 99.82 0.04 0.00 0.00 0.00 54 I H H 46.15 8.80 19.67 29.82 91.76 50.02 -64.54 -42.20 0.16 0.00 99.84 0.01 0.01 0.12 99.76 0.10 0.00 0.00 0.00 55 V H H 10.71 21.59 13.14 34.66 91.78 50.73 -65.05 -40.16 0.40 0.00 99.60 0.02 0.02 0.32 99.25 0.39 0.00 0.00 0.00 56 K H H 129.51 4.88 18.72 24.82 91.54 52.08 -67.54 -31.48 5.03 0.00 94.97 0.09 0.12 4.99 94.31 0.49 0.00 0.00 0.00 57 A H H 79.95 1.67 18.44 19.06 94.92 46.52 -80.61 -23.59 18.84 0.02 81.14 0.54 1.19 16.89 80.78 0.57 0.01 0.01 0.01 58 E C C 64.42 10.92 12.05 24.05 115.36 33.66 -130.14 98.84 99.14 0.16 0.70 73.14 25.02 0.87 0.67 0.08 0.00 0.03 0.18 59 P C S 92.20 6.19 14.82 22.98 94.89 -172.70 -73.33 -17.54 99.72 0.15 0.13 43.75 54.74 1.27 0.05 0.05 0.00 0.05 0.09 60 D C C 75.81 4.53 19.19 24.51 110.84 90.34 -92.07 116.29 98.10 1.31 0.60 62.98 34.08 0.70 0.44 0.12 0.00 0.23 1.44 61 V H H 36.13 19.00 11.92 30.59 93.11 -155.09 -62.93 -36.32 6.86 0.05 93.09 1.68 1.47 3.89 90.22 2.68 0.02 0.02 0.02 62 K H H 130.58 3.34 19.15 23.32 91.59 56.58 -62.94 -40.93 4.28 0.03 95.68 0.73 0.52 3.01 93.42 2.28 0.01 0.02 0.01 63 K H H 101.88 3.03 20.75 23.31 91.95 48.63 -65.56 -40.14 2.43 0.06 97.51 0.80 0.35 1.31 94.77 2.71 0.01 0.05 0.01 64 L H H 8.97 18.79 13.62 33.26 91.81 50.99 -64.03 -43.13 1.40 0.05 98.55 0.53 0.23 0.69 97.24 1.26 0.00 0.03 0.01 65 E H H 40.05 14.23 15.05 29.90 91.81 51.62 -63.37 -41.48 1.70 0.06 98.24 0.50 0.25 0.98 96.84 1.37 0.01 0.04 0.01 66 E H H 139.03 1.23 20.25 19.85 92.05 50.54 -64.91 -39.18 3.48 0.04 96.48 0.46 0.30 2.77 94.63 1.80 0.01 0.02 0.01 67 Q H H 97.64 6.06 17.27 24.25 92.44 50.35 -69.91 -32.17 7.80 0.04 92.17 0.31 0.59 7.24 90.61 1.19 0.03 0.01 0.02 68 L C H 27.21 17.77 10.64 28.03 98.27 44.27 -95.75 2.98 50.62 0.41 48.96 3.72 11.72 34.01 48.10 1.88 0.11 0.11 0.36 69 Q C T 145.37 1.55 18.01 19.40 94.95 -117.85 57.22 41.71 87.86 0.40 11.74 10.12 6.26 71.84 2.88 8.35 0.00 0.18 0.36 70 G C T 47.15 6.13 14.68 22.13 94.31 -45.26 74.27 8.17 85.96 0.21 13.83 2.44 8.46 74.56 1.46 12.80 0.00 0.10 0.18 71 G C T 33.69 9.65 16.07 26.19 98.33 -77.18 83.47 3.97 85.76 0.81 13.43 14.91 24.84 45.41 1.62 12.30 0.00 0.36 0.55 72 Q C C 77.56 7.28 20.75 28.57 111.57 130.20 -85.81 123.00 89.41 4.17 6.41 78.88 8.28 1.35 5.28 1.18 0.00 0.98 4.05 73 I H H 29.56 20.82 14.54 34.77 94.07 -147.82 -62.51 -40.51 1.65 0.00 98.34 0.36 0.22 0.88 97.89 0.64 0.00 0.00 0.00 74 E H H 100.78 6.90 21.61 28.99 91.79 54.40 -63.30 -40.53 0.49 0.00 99.50 0.06 0.03 0.34 98.85 0.73 0.00 0.00 0.00 75 E H H 86.08 4.89 23.09 28.13 91.73 48.92 -65.58 -40.57 0.19 0.00 99.81 0.02 0.01 0.13 99.11 0.73 0.00 0.00 0.00 76 V H H 8.68 20.38 17.45 38.09 91.72 50.34 -63.98 -43.26 0.09 0.00 99.91 0.01 0.00 0.05 99.86 0.07 0.00 0.00 0.00 77 I H H 32.50 16.90 20.36 36.89 91.76 50.11 -63.59 -42.76 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 78 L H H 81.57 4.07 24.36 28.20 91.57 49.60 -63.73 -42.38 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 79 Q H H 64.09 8.75 22.59 31.78 91.83 49.33 -64.82 -41.51 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 80 A H H 7.55 20.06 17.64 38.10 91.84 50.95 -63.92 -41.86 0.21 0.00 99.79 0.01 0.01 0.14 99.81 0.03 0.00 0.00 0.00 81 E H H 87.49 7.65 23.05 31.01 91.64 51.07 -63.26 -41.51 0.18 0.00 99.82 0.01 0.01 0.11 99.85 0.02 0.00 0.00 0.00 82 N H H 81.96 3.67 23.84 27.09 91.85 49.60 -64.85 -40.99 0.22 0.00 99.78 0.02 0.01 0.14 99.80 0.03 0.00 0.00 0.00 83 E H H 41.30 14.74 19.26 34.22 92.20 50.62 -64.81 -41.40 0.26 0.00 99.74 0.02 0.01 0.17 99.75 0.05 0.00 0.00 0.00 84 L H H 45.75 13.40 19.40 32.99 92.00 51.06 -64.01 -41.09 0.24 0.00 99.76 0.02 0.01 0.16 99.75 0.06 0.00 0.00 0.00 85 S H H 55.26 3.10 22.53 25.02 91.62 50.64 -63.95 -41.78 0.56 0.00 99.44 0.04 0.02 0.43 99.43 0.08 0.00 0.00 0.00 86 L H H 56.66 7.87 19.80 28.62 91.93 49.89 -64.98 -41.10 0.66 0.00 99.34 0.04 0.02 0.51 99.34 0.09 0.00 0.00 0.00 87 A H H 18.55 14.87 15.93 31.77 91.84 52.12 -63.21 -41.54 0.27 0.00 99.73 0.03 0.01 0.16 99.72 0.08 0.00 0.00 0.00 88 R H H 121.14 4.24 20.24 24.91 91.72 51.31 -63.93 -40.30 0.41 0.00 99.59 0.03 0.02 0.28 99.34 0.32 0.00 0.00 0.00 89 K H H 110.39 3.14 19.05 22.19 91.94 50.40 -65.13 -40.06 0.80 0.00 99.19 0.05 0.03 0.63 98.45 0.84 0.00 0.00 0.00 90 M H H 50.78 13.40 13.63 27.60 92.61 51.26 -67.21 -34.23 2.08 0.00 97.91 0.12 0.10 1.75 95.63 2.40 0.00 0.00 0.00 91 I H H 83.79 9.36 14.26 24.40 92.20 54.76 -69.23 -28.82 22.84 0.02 77.14 0.40 0.59 22.49 73.66 2.81 0.02 0.01 0.02 92 Q C T 141.76 1.03 17.06 16.60 95.50 49.53 -88.37 -8.12 54.98 0.04 44.98 0.98 1.62 51.95 43.19 2.21 0.01 0.01 0.03 93 W C C 101.50 9.89 8.96 20.05 115.90 97.91 -79.72 138.15 94.29 0.64 5.08 51.87 38.14 3.93 4.36 0.77 0.00 0.14 0.80 94 K C C 132.35 3.46 15.07 19.68 111.48 -147.14 -97.86 113.62 98.54 0.73 0.73 95.33 2.41 0.84 0.24 0.36 0.00 0.25 0.58 95 P C T 62.92 12.40 10.64 23.39 95.92 -139.69 -66.64 -18.80 97.57 0.62 1.81 19.34 14.20 63.78 0.19 1.87 0.00 0.32 0.29 96 W C T 148.53 6.97 12.71 20.51 100.58 49.61 -95.30 14.70 96.51 1.45 2.05 17.75 15.45 63.08 0.24 2.08 0.00 0.79 0.60 97 E C C 107.28 4.39 12.40 18.46 118.05 117.39 -89.29 141.30 97.55 1.81 0.64 49.23 47.36 1.17 0.16 0.42 0.00 0.73 0.93 98 P C C 95.89 4.07 11.65 17.45 113.37 -101.25 -66.20 145.81 96.25 2.09 1.66 85.17 7.14 3.81 0.36 1.37 0.00 1.16 0.99 99 L C C 100.28 7.16 8.64 17.15 108.31 -115.12 -77.85 125.90 92.56 5.13 2.31 76.88 10.81 4.18 0.61 1.90 0.00 2.37 3.25 100 V C C 106.50 3.83 9.48 14.91 110.64 -159.35 -97.39 99.31 92.45 5.56 1.98 73.69 15.01 3.36 0.61 1.43 0.00 2.67 3.23 101 E C C 139.33 2.27 10.29 14.08 116.46 24.41 -96.78 143.18 95.27 3.59 1.14 67.83 25.21 2.42 0.33 0.75 0.00 1.67 1.79 102 E C C 154.39 1.41 11.98 14.28 113.98 -98.26 -80.17 134.43 99.01 0.91 0.08 87.56 11.32 0.22 0.03 0.04 0.00 0.40 0.43 103 P C C 66.60 10.65 7.18 18.24 116.67 -107.93 -65.80 149.73 99.85 0.13 0.02 98.58 1.23 0.07 0.01 0.01 0.00 0.05 0.06 104 P C C 79.92 3.50 10.78 16.04 115.35 -103.40 -64.39 152.27 99.48 0.23 0.30 97.97 1.04 0.55 0.07 0.14 0.00 0.07 0.16 105 A C T 96.55 0.99 10.92 12.21 108.56 -97.73 -65.33 142.71 97.55 0.29 2.16 9.93 20.09 67.27 0.21 2.15 0.00 0.14 0.20 106 S C T 83.90 2.71 9.76 13.85 99.03 12.86 29.94 40.42 96.91 0.53 2.56 19.71 12.97 64.00 0.37 2.40 0.00 0.26 0.29 107 Q C C 104.94 5.25 9.13 16.20 99.55 155.85 -77.36 -14.26 91.76 1.50 6.73 41.81 18.88 30.00 0.81 6.94 0.00 0.65 0.90 108 W C C 145.19 6.63 8.60 16.39 107.84 55.57 -95.02 77.76 92.74 2.17 5.09 45.41 17.16 29.59 0.71 4.94 0.00 1.00 1.19 109 K C C 144.72 2.03 10.90 14.43 117.11 146.66 -97.07 137.39 93.68 3.38 2.93 66.63 21.46 5.08 0.69 2.39 0.00 1.35 2.40 110 W C C 169.10 4.47 7.17 13.56 115.13 -111.10 -80.57 140.19 97.75 1.56 0.69 58.71 32.89 6.16 0.17 0.54 0.00 0.71 0.83 111 P C C 106.27 2.15 8.80 12.34 108.85 -14.14 -72.56 133.27 99.25 0.44 0.31 90.37 3.48 5.47 0.07 0.18 0.00 0.23 0.20 112 I C C 122.22 3.49 9.69 14.87 108.07 -134.20 -85.97 118.71 99.91 0.08 0.01 99.79 0.11 0.04 0.00 0.00 0.00 0.03 0.01