# 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 I C C 53.03 16.51 15.09 30.93 113.62 -157.38 -96.09 121.04 99.84 0.08 0.08 99.79 0.07 0.04 0.06 0.00 0.00 0.03 0.01 1 N C C 77.47 8.88 14.28 23.93 108.33 -156.60 -82.27 111.92 66.36 0.39 33.25 60.73 0.69 3.61 34.00 0.67 0.00 0.14 0.16 2 T H H 90.13 3.01 15.73 19.21 95.88 90.21 -69.01 -35.30 21.88 0.17 77.95 13.04 2.85 5.55 77.36 1.06 0.00 0.06 0.08 3 A H H 45.78 6.65 16.23 24.21 93.51 54.87 -65.98 -39.93 7.08 0.07 92.86 3.70 0.96 2.35 92.09 0.85 0.00 0.03 0.02 4 L H H 24.08 18.89 14.35 32.92 92.46 51.39 -64.79 -41.14 1.51 0.01 98.48 0.71 0.19 0.56 98.11 0.42 0.00 0.01 0.00 5 Q H H 75.51 9.70 18.36 28.62 91.82 51.85 -63.52 -40.82 0.57 0.00 99.43 0.22 0.06 0.23 99.34 0.14 0.00 0.00 0.00 6 E H H 104.14 2.45 22.35 23.66 91.89 50.25 -64.74 -41.56 0.43 0.00 99.57 0.13 0.04 0.20 99.54 0.08 0.00 0.00 0.00 7 V H H 29.38 13.74 19.19 33.54 91.87 49.97 -64.25 -43.18 0.31 0.00 99.69 0.07 0.02 0.16 99.69 0.05 0.00 0.00 0.00 8 L H H 19.88 21.09 17.52 38.13 91.78 50.14 -63.50 -41.75 0.32 0.00 99.67 0.07 0.02 0.16 99.69 0.05 0.00 0.00 0.00 9 K H H 111.04 5.19 22.37 28.08 91.44 51.29 -63.18 -41.35 0.64 0.00 99.35 0.12 0.04 0.36 99.38 0.10 0.00 0.00 0.00 10 K H H 102.95 4.31 22.67 26.96 91.91 49.51 -65.42 -40.92 1.08 0.01 98.90 0.19 0.09 0.67 98.79 0.25 0.00 0.01 0.00 11 S H H 10.39 18.89 15.03 34.34 91.87 51.35 -64.77 -40.24 2.46 0.03 97.51 0.43 0.21 1.62 97.03 0.67 0.01 0.01 0.01 12 L H H 63.87 13.26 17.19 30.30 92.44 52.41 -65.84 -37.72 6.02 0.10 93.88 0.89 0.52 4.40 92.68 1.37 0.04 0.05 0.04 13 I H H 116.65 3.04 19.71 22.90 92.97 51.39 -70.59 -29.64 11.93 0.11 87.95 0.99 1.03 9.72 87.18 0.92 0.06 0.05 0.06 14 A C T 50.25 9.01 15.03 25.07 102.88 63.65 -84.48 0.90 65.79 0.39 33.82 2.94 7.91 52.41 34.51 1.76 0.03 0.14 0.29 15 D C T 103.41 4.94 19.74 25.54 97.78 -107.21 -10.80 38.00 95.57 0.42 4.02 5.42 15.29 75.14 2.73 1.02 0.00 0.26 0.15 16 G C C 17.67 15.34 18.59 33.49 101.18 -47.23 83.31 8.33 85.85 12.87 1.28 62.02 12.18 10.31 0.29 0.95 0.00 13.71 0.53 17 L E E 24.39 20.96 19.27 39.59 120.67 132.05 -96.46 134.10 21.07 78.71 0.22 18.62 2.12 0.23 0.13 0.12 0.00 76.14 2.64 18 V E E 19.35 18.73 21.77 40.27 125.45 -164.19 -117.78 140.26 8.71 91.22 0.08 8.69 0.32 0.03 0.06 0.03 0.00 88.18 2.68 19 H E E 79.32 14.04 23.71 36.81 125.38 -163.22 -119.90 137.45 22.75 77.21 0.04 21.28 1.12 0.06 0.02 0.02 0.00 76.42 1.08 20 G C S 17.13 9.90 25.39 36.38 125.92 11.36 95.26 166.86 91.59 2.12 6.29 12.55 74.16 3.41 7.93 0.34 0.00 0.92 0.69 21 I H H 30.57 21.77 16.83 37.84 91.76 -86.28 -60.78 -39.34 1.53 0.00 98.46 0.11 0.27 1.03 98.41 0.18 0.00 0.00 0.00 22 H H H 118.67 4.70 24.12 29.55 91.66 51.67 -63.44 -41.67 0.83 0.00 99.17 0.06 0.07 0.62 99.04 0.21 0.00 0.00 0.00 23 Q H H 76.42 7.44 24.36 32.03 91.83 47.79 -66.29 -40.38 0.25 0.00 99.75 0.03 0.02 0.16 99.64 0.15 0.00 0.00 0.00 24 A H H 1.38 26.33 16.71 43.70 91.28 50.98 -63.50 -43.47 0.10 0.00 99.90 0.01 0.01 0.05 99.90 0.03 0.00 0.00 0.00 25 C H H 20.14 16.54 22.05 38.39 91.26 50.61 -62.70 -42.83 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 26 K H H 109.27 2.51 26.68 27.90 91.66 49.94 -63.58 -42.02 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 27 A H H 9.63 14.60 18.59 34.72 91.18 50.40 -63.82 -42.30 0.15 0.00 99.85 0.01 0.01 0.10 99.84 0.05 0.00 0.00 0.00 28 L H H 8.24 23.79 14.72 38.29 91.71 50.04 -64.61 -42.51 0.44 0.00 99.56 0.02 0.01 0.35 99.44 0.17 0.00 0.00 0.00 29 D H H 91.14 5.62 19.14 25.96 91.28 50.86 -65.30 -32.46 3.58 0.00 96.42 0.04 0.09 3.53 96.16 0.18 0.00 0.00 0.00 30 K C T 129.56 2.49 19.04 21.15 93.38 50.16 -87.75 -2.03 83.24 0.01 16.75 0.23 1.34 81.01 17.00 0.40 0.00 0.00 0.01 31 R C T 134.84 10.58 15.69 26.77 94.10 -117.94 64.81 26.58 98.95 0.01 1.04 0.50 3.55 95.10 0.74 0.10 0.00 0.00 0.01 32 Q C C 93.59 6.82 22.10 29.47 96.42 125.94 -87.43 -11.95 99.53 0.39 0.08 51.40 44.75 3.44 0.02 0.06 0.00 0.18 0.15 33 A C C 4.73 24.96 14.30 39.22 117.84 72.21 -103.91 134.38 89.14 10.77 0.09 82.56 6.30 0.28 0.01 0.09 0.00 10.14 0.62 34 V C S 47.65 12.67 26.60 39.92 101.67 178.66 -100.33 -27.00 87.03 12.94 0.03 26.52 59.63 0.28 0.00 0.03 0.00 13.35 0.18 35 L E E 10.20 21.39 26.94 47.60 134.60 14.46 -143.96 143.92 3.61 96.37 0.01 3.06 0.49 0.03 0.00 0.01 0.00 96.18 0.22 36 C E E 1.22 27.03 26.37 53.20 122.98 -164.23 -121.81 130.58 0.33 99.67 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.01 37 I E E 4.21 24.26 29.11 52.59 118.23 -162.39 -110.91 125.37 0.09 99.91 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.90 0.00 38 L E E 5.68 24.19 25.83 48.99 125.89 -170.69 -115.93 141.98 0.71 99.29 0.00 0.73 0.01 0.00 0.00 0.00 0.00 99.24 0.03 39 A E E 7.18 20.00 20.62 41.12 114.98 -113.57 -72.67 142.54 21.19 78.77 0.05 20.56 0.57 0.06 0.01 0.03 0.00 78.28 0.49 40 E C T 89.64 11.57 20.13 31.93 92.76 -124.54 -65.36 -24.69 93.54 5.24 1.21 2.09 13.71 78.24 0.05 1.22 0.00 4.28 0.40 41 S C T 75.12 3.59 21.49 25.39 94.88 58.43 -88.90 3.51 97.92 1.18 0.90 6.29 16.47 74.96 0.05 1.13 0.00 0.93 0.17 42 F C C 29.02 21.17 8.76 28.57 119.70 115.78 -81.10 145.79 97.47 1.87 0.66 69.93 26.59 0.78 0.23 0.38 0.00 0.63 1.45 43 D C C 90.20 2.14 20.89 21.70 117.82 -114.14 -75.75 156.11 99.72 0.13 0.15 98.98 0.69 0.09 0.09 0.01 0.00 0.03 0.11 44 E H H 110.64 9.20 13.14 23.39 92.40 -107.68 -58.38 -38.82 2.87 0.00 97.12 0.40 0.33 1.76 96.92 0.59 0.00 0.00 0.00 45 P H H 88.21 1.67 18.32 18.85 91.87 52.70 -63.72 -39.26 2.05 0.00 97.94 0.13 0.12 1.70 97.00 1.06 0.00 0.00 0.00 46 N H H 57.26 7.62 17.14 26.11 91.97 49.48 -66.20 -39.45 0.98 0.00 99.02 0.10 0.06 0.70 97.78 1.35 0.00 0.00 0.00 47 Y H H 23.73 20.98 13.72 34.27 91.68 51.30 -63.38 -42.50 0.61 0.00 99.39 0.11 0.05 0.34 99.23 0.27 0.00 0.00 0.00 48 K H H 97.77 9.26 19.98 29.60 91.38 51.31 -62.85 -41.49 0.29 0.00 99.71 0.03 0.01 0.18 99.74 0.05 0.00 0.00 0.00 49 K H H 125.70 2.05 23.67 24.46 91.81 49.35 -64.56 -41.01 0.28 0.00 99.72 0.01 0.01 0.22 99.71 0.05 0.00 0.00 0.00 50 L H H 24.41 16.41 20.16 36.58 92.18 48.93 -65.11 -42.68 0.22 0.00 99.78 0.01 0.00 0.17 99.78 0.03 0.00 0.00 0.00 51 V H H 6.01 24.15 18.82 42.67 91.67 48.88 -64.19 -43.64 0.12 0.00 99.88 0.01 0.01 0.08 99.89 0.01 0.00 0.00 0.00 52 T H H 63.18 7.17 23.46 30.85 91.70 49.72 -63.57 -42.25 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 53 A H H 38.95 4.72 23.15 28.35 91.52 50.13 -63.58 -42.36 0.13 0.00 99.87 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 54 L H H 12.55 18.13 18.33 36.98 91.81 48.75 -64.84 -42.52 0.26 0.00 99.74 0.01 0.01 0.18 99.77 0.03 0.00 0.00 0.00 55 C H H 13.71 18.34 14.94 33.58 92.01 49.90 -63.92 -42.16 0.49 0.00 99.51 0.05 0.03 0.30 99.54 0.09 0.00 0.00 0.00 56 N H H 116.11 1.74 19.28 20.52 92.99 47.13 -66.61 -40.61 0.89 0.00 99.11 0.04 0.03 0.72 98.90 0.32 0.00 0.00 0.00 57 E H H 121.62 3.25 17.59 21.43 93.06 46.53 -67.87 -36.69 3.31 0.00 96.69 0.07 0.12 3.05 96.42 0.34 0.00 0.00 0.00 58 H H H 64.83 12.65 13.40 26.72 98.93 31.82 -104.87 2.96 25.74 0.03 74.23 0.73 1.99 22.35 74.20 0.68 0.02 0.00 0.02 59 Q C T 142.67 1.88 20.51 22.45 93.52 -124.43 56.82 41.20 99.84 0.02 0.14 12.39 1.94 85.57 0.05 0.03 0.00 0.01 0.00 60 I C C 10.87 23.39 11.90 35.35 116.05 157.28 -101.20 126.38 99.62 0.38 0.00 97.89 1.79 0.02 0.00 0.00 0.00 0.26 0.04 61 P C C 51.32 8.25 25.75 34.99 111.04 -118.62 -70.31 134.49 96.73 3.27 0.00 96.47 0.45 0.02 0.00 0.00 0.00 2.99 0.07 62 L E E 27.35 23.44 16.44 39.20 122.64 -161.44 -115.53 132.25 8.82 91.17 0.01 8.87 0.27 0.01 0.00 0.00 0.00 90.13 0.72 63 I E E 29.07 15.88 23.29 39.25 118.72 -162.15 -110.92 126.88 0.72 99.28 0.00 0.70 0.02 0.00 0.00 0.00 0.00 99.23 0.06 64 R E E 107.29 12.05 23.41 35.16 115.31 -147.66 -96.28 126.92 1.51 98.49 0.00 1.54 0.02 0.00 0.00 0.00 0.00 98.35 0.08 65 V E E 13.94 19.77 13.85 33.87 128.60 -174.88 -124.70 146.22 42.20 57.76 0.04 42.11 0.50 0.05 0.01 0.02 0.00 56.70 0.61 66 D C S 106.93 3.44 20.78 24.92 97.17 -150.21 -88.38 -14.55 98.77 1.16 0.07 26.14 72.06 0.77 0.02 0.04 0.00 0.89 0.09 67 S C S 44.93 4.96 22.80 28.03 136.77 24.78 -145.88 158.99 97.89 0.70 1.42 47.75 48.76 1.45 1.10 0.26 0.00 0.19 0.49 68 H H H 61.59 19.25 14.14 32.56 91.98 -115.86 -61.90 -35.19 6.14 0.03 93.84 0.83 1.19 4.19 91.63 2.12 0.01 0.01 0.01 69 K H H 123.67 5.06 21.37 27.34 91.65 56.76 -63.43 -40.50 3.74 0.03 96.23 0.62 0.47 2.66 93.89 2.31 0.01 0.01 0.01 70 K H H 85.91 7.04 22.75 30.02 91.92 49.34 -66.38 -40.56 1.65 0.03 98.31 0.48 0.24 0.93 95.70 2.62 0.00 0.02 0.00 71 L H H 3.52 24.86 16.93 42.22 91.27 51.77 -63.05 -43.68 0.90 0.01 99.09 0.18 0.10 0.55 97.52 1.64 0.00 0.01 0.00 72 G H H 6.16 19.12 18.84 38.14 91.58 51.11 -63.12 -41.57 1.82 0.01 98.17 0.18 0.11 1.35 94.76 3.58 0.00 0.01 0.00 73 E H H 113.69 3.79 25.02 29.02 91.88 50.73 -64.93 -40.74 3.22 0.01 96.77 0.18 0.16 2.69 92.44 4.51 0.01 0.01 0.00 74 W H H 65.01 15.78 21.22 36.38 92.52 49.54 -66.88 -36.60 7.44 0.04 92.52 0.42 0.49 6.39 89.26 3.36 0.05 0.02 0.02 75 S H H 6.17 23.25 17.85 41.18 93.56 46.50 -84.11 -12.87 45.24 0.44 54.32 1.73 3.11 39.75 52.36 2.52 0.09 0.21 0.23 76 G C T 33.69 7.82 24.13 32.84 96.82 -119.76 74.29 21.19 98.47 0.49 1.04 11.55 5.87 81.41 0.48 0.32 0.00 0.27 0.11 77 L C C 31.69 17.23 17.73 34.81 99.72 130.06 -87.97 -8.45 90.48 8.84 0.68 60.20 25.83 4.64 0.14 0.61 0.00 7.49 1.10 78 C E E 27.05 17.00 15.33 32.07 126.22 56.37 -119.58 146.84 43.39 56.17 0.44 32.62 9.59 1.69 0.10 0.41 0.00 53.64 1.96 79 K E E 103.37 7.01 18.81 26.76 124.11 -154.98 -111.44 144.20 14.93 84.98 0.09 13.11 1.69 0.22 0.02 0.07 0.00 84.07 0.82 80 I E E 85.06 9.06 11.75 22.22 120.48 -135.56 -108.23 136.24 6.82 93.15 0.03 6.05 0.35 0.02 0.04 0.01 0.00 76.45 17.08 81 D C C 55.34 5.98 9.70 17.82 123.49 -132.72 -82.04 173.83 97.28 2.70 0.02 97.31 0.39 0.06 0.00 0.01 0.00 1.86 0.36 82 K C T 183.39 0.49 9.67 9.87 90.84 -88.89 -64.02 -22.51 99.33 0.22 0.44 0.81 6.23 92.24 0.01 0.50 0.00 0.16 0.03 83 E C T 155.84 0.58 10.23 9.96 93.91 54.72 -87.94 0.16 99.44 0.05 0.51 0.43 5.59 93.39 0.01 0.53 0.00 0.03 0.01 84 G C S 47.74 3.85 9.55 15.32 95.77 -105.42 82.36 7.24 99.24 0.37 0.39 13.53 84.58 1.28 0.02 0.28 0.00 0.16 0.14 85 K C C 122.08 2.29 12.54 16.16 117.97 136.18 -88.04 140.43 98.36 1.61 0.03 89.27 9.12 0.17 0.01 0.02 0.00 0.97 0.44 86 P E E 71.68 8.32 11.00 20.82 113.56 -106.22 -65.23 143.70 10.78 89.12 0.10 9.34 0.57 0.05 0.10 0.03 0.00 54.00 35.91 87 R E E 116.44 7.81 13.60 22.60 110.78 -161.02 -100.98 145.19 48.01 51.85 0.14 37.54 8.61 0.71 0.02 0.14 0.00 52.37 0.60 88 K E E 123.26 5.14 17.50 23.85 119.67 -74.64 -103.22 134.02 33.69 66.08 0.23 26.20 7.49 0.80 0.05 0.22 0.00 63.62 1.61 89 V E E 54.94 15.03 14.76 29.61 115.00 -142.67 -92.95 128.09 35.94 63.76 0.30 32.19 2.24 0.39 0.14 0.20 0.00 57.83 7.01 90 C C C 37.89 13.16 19.02 32.56 116.42 -170.92 -108.78 134.84 60.31 39.25 0.44 48.25 9.27 1.98 0.11 0.42 0.00 37.27 2.71 91 G C C 18.35 13.31 22.63 35.74 121.78 -108.79 -84.36 155.07 66.79 32.69 0.52 42.77 21.05 3.57 0.08 0.55 0.00 30.06 1.92 92 C C E 13.18 22.37 19.96 41.68 126.14 -154.17 -114.76 144.41 51.75 47.96 0.29 44.22 5.71 0.77 0.06 0.27 0.00 46.69 2.29 93 S E E 16.04 18.61 25.95 43.51 112.21 -164.27 -110.78 12.19 29.50 70.32 0.18 22.37 7.12 0.61 0.03 0.16 0.00 68.71 0.99 94 V E E 9.38 23.18 25.66 47.79 130.48 -2.99 -131.99 141.18 6.33 93.62 0.05 5.36 0.75 0.07 0.01 0.02 0.00 93.64 0.15 95 V E E 5.13 24.14 26.43 49.68 122.73 -163.19 -117.49 131.54 0.71 99.29 0.01 0.66 0.02 0.00 0.00 0.00 0.00 99.28 0.02 96 V E E 12.76 20.18 27.03 46.41 119.40 -161.27 -110.75 129.41 0.44 99.56 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.54 0.02 97 I E E 10.63 22.52 21.53 43.78 118.23 -162.42 -109.42 125.45 2.53 97.44 0.02 2.45 0.08 0.01 0.01 0.00 0.00 97.32 0.13 98 K E E 78.69 12.30 22.82 34.64 118.59 -166.07 -104.70 134.37 26.68 72.90 0.42 20.73 5.29 0.92 0.12 0.27 0.00 72.18 0.49 99 D C C 68.86 10.67 19.32 29.94 105.77 -13.54 -88.55 86.96 72.36 26.63 1.01 54.66 12.94 3.28 0.17 0.89 0.00 27.20 0.86 100 F C C 71.29 14.23 13.80 28.10 100.83 171.98 -89.17 2.29 87.49 8.08 4.42 51.69 14.41 21.48 0.81 3.85 0.00 6.26 1.50 101 G C C 43.87 4.99 16.29 22.44 107.58 -105.06 83.94 -20.44 90.91 2.68 6.42 35.74 25.95 29.33 1.06 5.50 0.00 1.39 1.04 102 E C S 124.98 3.70 15.72 20.56 116.24 11.63 -93.11 143.52 89.54 1.64 8.83 33.55 35.77 20.19 1.78 7.03 0.00 0.76 0.92 103 E C C 120.50 6.84 13.48 22.04 112.99 -109.76 -80.08 129.59 91.42 1.14 7.44 58.30 18.72 14.01 2.22 5.52 0.00 0.51 0.74 104 T C C 39.38 11.44 11.90 24.62 124.70 -167.11 -115.81 150.90 93.43 0.30 6.28 79.19 12.23 1.50 6.20 0.57 0.00 0.08 0.22 105 P H H 93.74 2.80 18.57 21.48 92.06 -115.30 -61.19 -33.34 18.74 0.09 81.17 6.82 2.85 8.75 79.32 2.16 0.01 0.04 0.04 106 A H H 25.04 14.24 15.41 30.23 92.04 55.46 -64.81 -38.82 9.26 0.05 90.69 2.79 1.12 4.96 89.22 1.86 0.01 0.02 0.02 107 L H H 38.82 14.96 15.68 30.93 91.83 52.28 -64.14 -41.10 2.64 0.03 97.33 1.22 0.39 0.98 96.24 1.14 0.00 0.02 0.00 108 D H H 80.72 3.02 21.34 23.84 91.75 51.62 -64.50 -40.38 1.76 0.03 98.20 0.90 0.26 0.62 97.71 0.50 0.00 0.02 0.00 109 V H H 56.30 6.82 19.76 27.47 91.79 50.08 -64.39 -42.57 1.02 0.02 98.95 0.39 0.14 0.45 98.75 0.26 0.00 0.01 0.00 110 V H H 19.94 17.88 16.14 34.33 92.15 49.83 -64.40 -42.78 0.63 0.01 99.37 0.19 0.07 0.31 99.24 0.19 0.00 0.00 0.00 111 K H H 93.63 7.66 18.84 27.26 91.60 51.09 -63.10 -41.32 0.77 0.01 99.22 0.19 0.07 0.41 99.09 0.23 0.00 0.00 0.00 112 D H H 79.95 2.12 19.67 20.78 91.77 49.75 -64.50 -40.88 1.56 0.01 98.43 0.29 0.13 0.98 98.22 0.37 0.00 0.01 0.00 113 H H H 61.56 8.91 15.57 25.92 92.44 49.83 -65.35 -40.67 3.05 0.02 96.93 0.55 0.29 1.99 96.61 0.53 0.00 0.01 0.00 114 L H H 50.58 11.86 12.56 25.31 92.52 50.27 -66.71 -38.16 7.39 0.09 92.52 1.94 0.93 4.30 91.89 0.86 0.01 0.05 0.03 115 R H H 156.69 1.98 14.51 16.98 92.64 52.32 -68.57 -33.07 17.93 0.19 81.88 4.62 2.07 10.71 81.29 1.11 0.01 0.08 0.09 116 Q H H 126.63 1.94 12.02 14.68 96.23 54.57 -76.99 -19.82 35.09 0.33 64.58 9.91 4.56 19.85 64.14 1.22 0.02 0.12 0.18 117 N C H 98.05 5.45 9.11 16.06 101.69 63.43 -85.23 8.58 64.02 0.34 35.64 35.60 1.84 22.90 38.34 1.00 0.00 0.12 0.21 118 S C C 80.04 3.61 11.86 17.08 105.36 118.28 -84.85 42.96 99.93 0.02 0.05 99.74 0.08 0.13 0.04 0.00 0.00 0.01 0.00