# 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 95.80 10.40 15.21 25.86 112.38 -152.79 -86.03 126.40 99.85 0.11 0.04 99.62 0.18 0.10 0.02 0.00 0.00 0.05 0.02 1 G C C 41.29 7.56 13.26 21.80 115.37 -128.67 33.09 -2.63 95.25 1.50 3.26 87.97 1.80 6.00 1.60 1.07 0.00 0.74 0.83 2 G C C 46.33 5.76 12.20 19.20 112.70 -57.42 -52.15 25.77 86.22 3.44 10.34 56.82 15.39 14.12 5.31 4.68 0.00 1.61 2.06 3 H C C 123.99 5.76 11.53 18.65 105.35 -31.27 -86.94 33.88 72.49 3.41 24.10 38.19 16.11 18.84 14.17 9.31 0.03 1.70 1.65 4 G C C 41.73 6.84 13.09 20.96 107.57 62.89 -35.69 -16.28 65.22 2.96 31.82 33.39 15.53 16.94 19.84 11.43 0.04 1.54 1.29 5 A C C 65.53 6.03 14.42 21.55 104.31 65.48 -79.40 9.26 57.10 4.89 38.01 37.71 9.67 9.97 25.84 12.03 0.03 3.14 1.60 6 W C C 107.78 11.68 12.95 24.92 105.38 84.42 -85.48 35.73 50.81 8.13 41.06 32.27 9.21 10.18 28.41 11.85 0.08 5.40 2.59 7 N C C 75.35 9.94 14.40 24.99 107.83 95.93 -90.51 87.47 57.21 7.40 35.39 37.85 9.09 10.57 26.09 9.11 0.05 4.96 2.29 8 E C C 99.16 8.48 14.64 23.95 108.96 119.43 -87.19 101.73 62.02 6.08 31.90 36.41 14.42 12.03 24.26 7.08 0.07 3.65 2.07 9 N C C 73.82 8.63 13.50 23.29 108.82 -134.89 -89.36 110.32 74.37 3.07 22.56 48.58 15.95 9.83 16.89 5.75 0.02 1.59 1.39 10 Q C C 92.44 10.24 13.06 23.88 97.98 -157.90 -71.33 -17.48 62.14 2.24 35.62 31.49 9.46 21.72 14.95 20.17 0.02 1.21 0.98 11 Q C T 114.65 4.90 15.39 21.53 98.89 67.26 -75.80 -17.27 63.48 1.78 34.74 13.33 11.87 38.74 11.57 22.52 0.06 1.00 0.90 12 H C T 94.58 9.34 15.37 25.30 101.78 56.84 -92.77 2.72 63.81 4.48 31.71 19.11 13.13 33.35 8.60 21.37 0.06 2.96 1.43 13 Y C C 52.71 17.00 13.39 30.08 115.84 92.73 -99.38 125.52 70.98 19.90 9.12 53.41 11.67 5.24 4.66 5.01 0.02 15.10 4.89 14 K C C 106.69 7.96 20.83 29.23 115.48 -159.92 -101.12 126.59 66.03 30.88 3.09 55.04 7.10 2.04 2.26 1.25 0.01 22.65 9.64 15 Y C C 37.44 19.75 12.06 31.22 120.16 -142.68 -100.40 137.87 83.20 15.49 1.31 72.86 9.70 0.74 1.10 0.38 0.00 11.07 4.15 16 S C C 45.92 4.57 19.49 24.50 121.93 -127.14 -80.74 163.16 96.51 2.43 1.06 94.97 1.66 0.25 0.95 0.12 0.00 1.39 0.66 17 K H H 123.93 7.56 13.61 22.62 91.90 -105.43 -58.61 -37.34 2.44 0.02 97.54 0.62 0.38 1.33 96.64 1.01 0.00 0.01 0.00 18 E H H 130.85 1.17 17.80 17.39 91.74 53.14 -64.40 -39.93 1.67 0.03 98.29 0.38 0.20 1.04 97.08 1.26 0.01 0.03 0.01 19 E H H 60.01 9.50 15.35 26.22 92.24 48.84 -66.45 -39.37 1.06 0.04 98.91 0.32 0.13 0.60 97.45 1.46 0.00 0.03 0.00 20 I H H 12.15 20.41 10.83 30.97 92.06 50.37 -64.32 -42.28 1.29 0.04 98.67 0.39 0.15 0.73 97.62 1.06 0.00 0.03 0.01 21 E H H 119.56 3.40 17.29 21.61 91.81 50.74 -64.33 -39.32 5.24 0.04 94.72 0.60 0.32 4.17 93.23 1.62 0.01 0.02 0.01 22 A H H 71.13 2.78 17.08 20.30 91.30 53.37 -66.65 -32.40 17.34 0.05 82.61 0.86 0.83 15.69 80.71 1.85 0.02 0.02 0.02 23 Y C T 66.56 13.94 13.68 28.04 95.87 45.03 -95.05 1.86 58.64 0.33 41.03 4.65 5.53 47.17 39.88 2.38 0.04 0.12 0.23 24 Q C T 125.60 4.10 20.82 25.99 95.50 -128.54 58.14 43.38 91.55 1.39 7.06 29.72 5.93 56.49 5.32 1.30 0.00 0.62 0.63 25 V C C 17.40 21.37 12.41 33.50 114.60 171.50 -93.66 125.99 95.75 2.00 2.25 86.35 8.17 1.37 1.56 0.63 0.00 1.06 0.87 26 P C C 56.72 9.07 21.58 31.26 108.97 -123.76 -71.41 134.34 92.12 2.83 5.06 83.08 5.85 3.45 2.98 1.78 0.00 1.50 1.37 27 M C C 55.93 17.14 15.20 31.35 116.66 -162.31 -102.14 134.90 71.89 10.06 18.04 51.82 13.43 6.13 10.20 8.07 0.03 4.92 5.40 28 R C C 124.08 7.81 18.70 26.99 110.16 -137.93 -82.64 131.56 65.89 11.84 22.27 44.79 11.68 9.40 10.97 11.41 0.05 7.80 3.89 29 I C C 69.58 13.88 13.39 26.99 110.24 -129.07 -90.48 112.15 62.11 15.39 22.50 40.86 11.06 10.21 10.87 11.72 0.10 9.63 5.55 30 K C C 111.04 7.82 14.60 23.31 112.28 91.39 -96.74 115.64 70.23 12.22 17.55 43.72 12.64 14.16 9.64 7.85 0.10 7.68 4.21 31 A C C 74.01 5.68 14.84 21.68 108.04 -86.36 -87.66 103.70 86.50 4.57 8.93 36.52 27.79 23.24 4.07 4.17 0.02 2.53 1.66 32 G C S 31.82 8.26 15.01 24.15 127.58 41.76 98.42 173.23 92.54 3.34 4.12 36.54 43.02 13.46 1.52 2.28 0.00 1.81 1.37 33 P C T 77.89 7.85 16.66 25.16 101.91 -50.70 -71.00 12.69 80.72 4.30 14.99 30.21 21.07 30.60 6.03 8.02 0.03 2.35 1.68 34 C C C 41.05 14.66 15.69 30.00 104.94 71.15 -88.22 30.78 67.03 12.20 20.76 32.20 14.02 21.97 9.38 10.69 0.20 7.21 4.32 35 V C C 43.69 15.29 17.30 32.16 102.23 112.28 -79.40 -12.27 48.05 15.23 36.72 23.93 10.26 16.03 14.62 20.78 0.25 10.33 3.80 36 D C G 67.21 12.33 21.32 32.79 99.05 64.39 -81.22 -3.64 47.87 13.68 38.46 19.21 10.86 20.55 14.26 22.19 0.26 10.21 2.46 37 T C C 34.90 17.12 20.37 36.35 102.36 75.84 -91.88 -6.90 46.69 18.68 34.63 19.13 12.09 18.50 13.98 18.75 0.44 14.17 2.93 38 Y C E 53.65 18.02 22.47 39.20 110.33 75.03 -95.00 100.57 46.31 32.20 21.50 21.97 15.26 11.41 12.76 7.99 0.97 22.34 7.30 39 I C C 14.30 21.24 21.32 42.26 116.90 -151.78 -105.51 125.30 68.55 25.67 5.78 39.74 27.89 2.03 5.40 1.02 0.08 19.20 4.64 40 P C C 20.60 14.92 24.98 40.39 110.54 -120.68 -69.23 137.85 73.55 19.42 7.03 71.19 2.06 0.99 7.16 0.65 0.00 14.09 3.85 41 L H H 12.51 23.81 19.66 42.80 93.73 -134.71 -62.81 -38.35 3.53 0.11 96.36 1.34 0.60 1.73 94.86 1.37 0.01 0.07 0.02 42 K H H 85.73 10.55 23.62 34.01 91.95 53.54 -64.24 -40.44 1.57 0.07 98.36 0.45 0.21 0.94 96.88 1.44 0.01 0.06 0.01 43 K H H 72.81 8.35 23.06 31.81 92.33 49.09 -66.28 -40.26 1.06 0.06 98.88 0.31 0.14 0.64 96.97 1.87 0.01 0.05 0.00 44 C H H 5.54 20.45 15.66 36.78 91.81 50.52 -65.32 -41.31 1.82 0.06 98.12 0.48 0.22 1.12 96.71 1.41 0.01 0.04 0.01 45 F H H 58.01 14.69 16.15 30.81 92.33 51.46 -67.35 -35.92 7.54 0.18 92.27 1.36 0.89 5.43 90.57 1.54 0.06 0.10 0.06 46 Q H H 118.77 3.14 18.42 22.08 93.41 51.57 -69.24 -35.91 15.21 0.19 84.59 2.05 1.92 11.42 83.06 1.29 0.07 0.09 0.09 47 E H H 107.81 5.17 16.88 22.82 97.44 40.41 -84.40 -29.46 27.46 0.36 72.18 3.96 7.20 17.72 69.60 1.02 0.13 0.10 0.26 48 N C C 54.00 10.34 13.22 24.83 114.96 15.63 -136.31 89.25 97.44 0.56 2.00 70.77 23.53 3.01 1.58 0.42 0.00 0.17 0.51 49 P C T 78.89 8.94 13.88 24.24 94.98 -174.31 -65.90 -17.89 86.30 0.31 13.39 9.92 7.80 68.78 8.69 4.44 0.00 0.14 0.22 50 T C T 86.17 5.73 18.10 24.49 97.44 58.98 -91.87 -0.69 83.49 0.37 16.15 7.83 8.87 66.53 11.83 4.49 0.01 0.17 0.28 51 S C H 23.73 12.78 15.95 29.76 119.27 107.54 -81.23 153.77 59.63 1.66 38.72 30.69 24.21 6.39 33.57 3.45 0.03 0.49 1.16 52 F H H 60.24 14.88 19.31 34.00 93.01 -116.56 -62.45 -35.92 8.60 0.20 91.19 2.39 1.59 5.06 87.33 3.37 0.07 0.11 0.08 53 A H H 21.55 16.63 19.47 35.77 92.51 53.69 -64.61 -40.57 6.31 0.20 93.49 1.88 0.89 3.81 88.66 4.50 0.06 0.13 0.07 54 A H H 24.51 10.64 19.32 31.33 91.90 51.67 -64.67 -41.15 2.86 0.11 97.03 0.86 0.40 1.68 91.39 5.55 0.02 0.08 0.02 55 K H H 71.56 9.70 20.00 30.24 92.54 50.52 -66.06 -39.31 3.90 0.12 95.98 0.84 0.47 2.59 90.02 5.93 0.03 0.09 0.03 56 M H H 40.35 15.74 17.31 32.91 92.84 50.37 -67.20 -37.96 10.38 0.22 89.40 1.50 1.01 7.94 83.25 6.02 0.07 0.15 0.07 57 L H H 61.79 13.33 16.88 29.99 93.88 50.32 -75.64 -25.90 29.53 0.71 69.76 4.46 4.32 21.89 64.47 3.89 0.25 0.35 0.38 58 D C T 80.40 6.08 16.79 23.70 96.68 55.90 -86.91 1.08 69.33 1.20 29.46 11.15 12.27 44.45 28.08 2.77 0.08 0.49 0.72 59 G C T 51.41 5.33 14.82 21.44 95.92 -112.39 77.82 9.55 93.48 0.88 5.64 24.97 21.83 47.14 2.96 2.25 0.00 0.43 0.42 60 R C C 122.20 5.81 14.15 21.53 116.25 129.20 -94.86 135.61 93.16 2.07 4.78 65.41 18.58 9.03 2.27 2.44 0.00 0.92 1.36 61 K C C 126.15 6.89 14.95 23.15 114.08 -134.15 -87.36 138.83 89.62 3.05 7.33 63.05 15.16 11.26 3.92 3.31 0.00 1.44 1.86 62 G C C 30.40 11.48 14.25 25.87 123.81 96.71 -117.76 -139.85 82.31 3.45 14.25 49.22 19.94 13.40 8.27 5.72 0.01 1.64 1.80 63 K C C 131.94 4.43 19.58 24.35 102.15 -90.26 -84.06 16.85 73.62 5.03 21.35 46.85 16.33 10.49 15.34 6.16 0.02 2.57 2.25 64 C C C 25.04 17.88 11.83 29.06 99.01 107.47 -85.85 2.64 60.81 3.91 35.27 43.32 10.12 7.63 30.40 4.97 0.02 1.87 1.68 65 A H H 55.95 5.28 18.21 24.49 93.24 100.98 -62.91 -40.01 11.41 0.23 88.35 7.59 2.07 2.62 85.68 1.85 0.00 0.11 0.06 66 K H H 114.59 3.31 20.79 23.88 92.59 51.04 -66.01 -39.38 4.71 0.12 95.18 2.28 0.80 1.98 92.92 1.91 0.01 0.07 0.03 67 E H H 30.47 16.90 16.31 33.28 92.43 51.48 -65.31 -40.95 2.75 0.06 97.19 1.25 0.44 1.22 95.49 1.53 0.00 0.04 0.01 68 F H H 66.26 13.53 18.63 32.09 92.05 51.57 -63.86 -41.19 1.22 0.02 98.76 0.54 0.19 0.54 98.13 0.58 0.00 0.01 0.00 69 K H H 117.92 2.47 23.52 24.92 91.77 50.63 -64.31 -41.67 0.79 0.01 99.20 0.28 0.10 0.40 98.94 0.27 0.00 0.01 0.00 70 Y H H 72.91 9.99 20.87 31.48 92.07 49.17 -65.10 -42.14 0.70 0.01 99.29 0.22 0.08 0.38 99.12 0.19 0.00 0.01 0.00 71 Y H H 24.79 20.05 17.59 37.37 92.16 50.25 -64.15 -42.43 0.65 0.01 99.34 0.17 0.07 0.38 99.24 0.13 0.00 0.00 0.00 72 N H H 71.47 7.09 22.38 29.84 91.63 50.75 -64.12 -41.40 0.94 0.01 99.05 0.18 0.09 0.59 99.01 0.13 0.00 0.00 0.00 73 T H H 70.15 3.27 23.84 26.27 91.70 49.05 -65.15 -41.55 1.77 0.01 98.22 0.24 0.14 1.23 98.22 0.15 0.00 0.00 0.00 74 C H H 15.33 16.16 18.44 35.40 92.08 50.27 -64.54 -42.63 2.02 0.01 97.97 0.33 0.18 1.32 97.97 0.18 0.00 0.00 0.00 75 L H H 40.07 14.66 19.39 34.01 92.08 51.36 -63.04 -42.21 0.94 0.01 99.05 0.20 0.09 0.57 98.92 0.21 0.00 0.00 0.00 76 N H H 91.39 2.89 23.17 25.32 91.97 49.83 -64.88 -41.11 1.09 0.01 98.91 0.15 0.08 0.77 98.70 0.29 0.00 0.00 0.00 77 H H H 79.68 7.68 20.62 28.83 92.29 49.58 -65.65 -41.34 1.70 0.01 98.30 0.21 0.12 1.26 97.91 0.49 0.00 0.00 0.00 78 W H H 46.51 17.18 16.33 33.33 92.56 50.47 -65.37 -40.95 2.85 0.02 97.13 0.48 0.25 2.01 96.03 1.21 0.00 0.01 0.01 79 Q H H 83.24 8.32 18.81 27.80 92.66 50.91 -65.52 -37.96 9.52 0.07 90.41 1.12 0.74 7.39 88.40 2.25 0.03 0.04 0.03 80 T H H 79.74 3.47 19.54 22.84 94.62 50.49 -72.69 -34.69 19.24 0.23 80.53 2.65 1.89 14.61 77.98 2.57 0.06 0.12 0.11 81 Y H H 84.49 11.40 15.37 27.21 98.46 50.85 -77.99 -25.75 31.40 2.17 66.43 12.63 6.42 14.42 60.52 3.87 0.12 1.26 0.76 82 E H H 82.57 11.24 15.60 26.87 99.00 58.36 -77.91 -26.53 44.58 3.61 51.81 22.14 6.59 16.67 47.40 3.80 0.08 2.15 1.17 83 N C H 87.43 6.41 16.50 23.69 103.43 59.55 -80.41 14.28 52.81 3.17 44.02 22.71 9.78 21.36 38.89 4.31 0.08 1.77 1.10 84 N C H 80.05 9.38 14.80 24.67 100.03 66.89 -78.60 -1.67 57.45 2.20 40.35 26.54 14.14 17.24 35.72 4.35 0.05 1.11 0.85 85 S C H 58.30 6.67 16.97 24.40 98.39 80.40 -70.16 -36.78 50.88 2.58 46.54 24.34 13.69 14.05 40.43 5.13 0.07 1.44 0.84 86 H H H 88.01 8.52 18.10 27.08 95.57 55.31 -69.23 -35.52 43.90 4.34 51.76 26.36 8.28 10.40 45.45 5.41 0.06 2.98 1.06 87 V H H 37.16 15.48 16.53 31.70 94.66 52.62 -67.63 -39.64 34.29 6.22 59.48 22.64 6.30 7.32 51.70 6.00 0.08 4.69 1.27 88 T H H 54.16 10.83 19.11 29.99 93.48 55.45 -65.95 -39.79 31.40 5.05 63.54 19.22 5.74 8.29 55.43 6.24 0.08 3.99 0.99 89 N H H 73.82 7.41 20.59 28.10 93.95 51.16 -69.30 -34.25 32.11 3.30 64.59 18.37 5.73 9.84 54.76 7.97 0.07 2.48 0.78 90 A H H 31.77 11.38 18.41 30.56 93.39 58.11 -66.63 -37.33 25.41 2.93 71.66 12.20 4.87 9.73 58.12 12.02 0.14 2.24 0.68 91 Y H H 62.43 14.72 17.41 31.95 93.68 50.79 -70.29 -33.62 25.89 5.40 68.72 10.54 4.93 11.71 54.25 12.79 0.42 4.21 1.14 92 W H H 109.97 10.19 17.69 28.16 97.13 51.50 -82.72 -17.62 36.49 5.09 58.43 14.33 6.93 16.92 46.20 10.23 0.34 3.61 1.44 93 A C H 64.17 6.86 16.44 24.00 96.86 63.71 -79.78 -13.68 58.72 3.51 37.77 18.46 16.45 25.51 29.80 6.21 0.25 1.73 1.57 94 D C C 62.53 7.68 13.82 23.04 108.61 75.85 -106.32 98.91 96.70 1.12 2.18 80.29 14.55 1.78 1.60 0.59 0.00 0.45 0.74 95 T H G 83.38 8.60 12.13 22.21 93.78 -169.52 -65.68 -24.99 40.21 0.33 59.46 6.46 4.56 27.99 14.95 45.67 0.01 0.18 0.18 96 S H G 88.91 1.46 16.93 18.01 92.24 64.41 -70.53 -21.05 40.79 0.39 58.82 3.40 4.62 31.29 15.17 45.04 0.03 0.21 0.24 97 K H G 88.87 9.15 15.19 25.20 97.64 49.61 -91.86 -8.62 37.94 1.96 60.11 8.52 7.52 22.51 15.37 44.04 0.08 1.16 0.79 98 A C C 22.04 18.75 10.90 28.80 109.94 87.38 -87.09 110.37 70.45 5.97 23.58 43.90 18.59 8.28 15.97 7.16 0.05 2.70 3.33 99 N C C 70.29 5.20 20.39 25.79 128.13 160.90 -111.53 167.94 79.87 5.28 14.85 58.07 15.53 5.34 12.99 2.56 0.01 1.98 3.53 100 A H H 65.87 9.71 14.86 25.24 92.38 -98.17 -61.43 -35.19 29.19 0.72 70.09 6.64 6.63 17.72 61.06 6.97 0.24 0.36 0.38 101 D H H 101.33 2.31 18.92 21.14 92.88 53.79 -67.38 -35.05 27.38 0.46 72.16 4.30 4.08 19.53 64.34 7.08 0.19 0.25 0.24 102 G H H 16.07 10.53 16.55 28.50 94.21 51.55 -64.43 -41.04 25.50 1.37 73.13 8.32 5.06 14.09 62.82 8.02 0.27 0.87 0.54 103 I H H 26.10 18.40 14.83 32.85 93.33 50.22 -67.20 -40.89 18.28 3.06 78.66 9.50 4.06 7.45 70.27 5.43 0.31 2.18 0.81 104 S H H 44.79 9.88 16.87 27.45 93.01 52.65 -66.23 -38.75 17.30 3.23 79.46 8.68 3.48 7.47 70.13 6.66 0.35 2.47 0.76 105 N H H 108.51 2.37 19.56 21.63 94.54 50.04 -71.67 -34.05 20.84 1.80 77.36 6.62 3.84 11.81 66.52 9.04 0.30 1.34 0.53 106 T H H 62.37 9.31 18.06 27.60 98.32 42.38 -80.08 -35.78 25.36 1.72 72.92 5.82 4.61 16.35 63.37 7.57 0.50 1.15 0.63 107 Y H H 53.64 16.88 14.56 30.71 100.60 37.69 -91.34 -16.47 37.45 4.11 58.44 10.63 10.43 19.95 48.48 5.51 0.99 1.93 2.07 108 G C H 31.11 9.89 15.91 26.34 98.86 70.24 -46.44 -34.75 57.29 2.07 40.64 26.98 12.29 19.46 29.58 9.59 0.06 1.05 0.99 109 G H H 40.70 5.26 17.28 23.11 101.44 37.61 -51.11 -53.84 47.52 1.40 51.08 14.35 10.79 23.03 32.42 17.81 0.16 0.70 0.75 110 S H H 62.93 6.05 17.39 24.08 98.95 34.38 -77.64 -19.67 38.56 2.03 59.41 15.53 8.03 15.44 38.77 20.12 0.16 1.11 0.85 111 F H H 57.34 15.63 13.78 28.89 96.18 65.50 -74.78 -25.51 33.84 3.98 62.18 15.00 7.17 12.81 39.12 21.91 0.25 2.43 1.31 112 R H H 102.13 11.69 15.59 27.23 95.47 65.06 -71.14 -24.30 41.86 6.18 51.96 16.14 8.37 18.51 34.66 15.63 0.50 3.96 2.23 113 K C H 134.38 3.69 17.71 21.91 99.25 52.89 -90.05 -0.07 56.22 4.20 39.58 17.62 13.61 26.08 26.62 11.50 0.32 2.49 1.76 114 G C C 23.41 11.11 13.29 25.19 119.30 94.88 -82.32 158.45 75.60 3.80 20.61 36.28 30.38 9.85 13.99 5.85 0.05 1.66 1.95 115 L H G 92.65 6.56 16.24 23.66 95.39 -89.39 -66.91 -27.61 41.41 2.95 55.64 13.30 9.25 19.72 22.10 32.77 0.13 1.71 1.01 116 A H G 44.18 10.56 14.04 25.34 94.81 61.98 -70.40 -27.10 34.91 4.67 60.43 9.72 7.09 19.33 20.08 39.27 0.14 3.32 1.05 117 W H G 99.30 11.83 12.44 24.44 98.61 57.07 -80.07 -13.22 33.38 6.54 60.08 13.05 6.83 15.91 17.18 40.70 0.08 4.90 1.35 118 L C C 98.71 6.24 12.40 19.93 102.68 70.16 -83.52 4.24 60.91 7.07 32.01 44.91 4.24 12.75 16.15 14.41 0.02 4.44 3.07 119 N C C 101.93 5.35 14.21 20.71 102.42 57.60 -83.37 39.22 99.76 0.14 0.10 99.21 0.25 0.37 0.05 0.01 0.00 0.07 0.03