# 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 104.54 7.41 11.34 20.08 115.65 -156.81 -92.83 131.66 99.93 0.05 0.02 99.85 0.09 0.02 0.01 0.00 0.00 0.02 0.01 1 N C C 75.57 6.07 10.33 18.20 113.04 -134.81 -86.12 128.82 94.37 0.14 5.49 93.01 0.35 0.75 5.66 0.12 0.00 0.04 0.07 2 P H H 94.28 2.36 12.25 15.66 94.30 -134.60 -61.30 -35.15 18.34 0.10 81.56 10.21 2.27 5.22 81.31 0.91 0.00 0.04 0.05 3 L H H 89.89 3.95 13.12 18.34 92.84 53.80 -66.05 -39.34 6.64 0.10 93.27 2.92 0.93 2.82 92.25 0.98 0.01 0.04 0.04 4 I H H 57.87 8.70 12.19 22.45 92.76 49.64 -66.39 -40.28 2.30 0.06 97.63 1.25 0.30 0.84 96.69 0.86 0.00 0.04 0.01 5 Q H H 92.41 3.98 15.17 20.25 92.18 51.81 -64.11 -41.06 1.40 0.04 98.56 0.75 0.17 0.53 98.04 0.48 0.00 0.03 0.01 6 E H H 103.67 2.21 16.75 18.70 92.08 50.28 -64.86 -40.96 1.56 0.04 98.41 0.62 0.17 0.72 98.07 0.38 0.00 0.02 0.01 7 L H H 63.43 6.15 15.32 23.00 92.65 49.56 -65.61 -41.37 2.48 0.04 97.47 0.86 0.29 1.27 97.07 0.48 0.00 0.02 0.01 8 T H H 46.59 9.05 14.41 24.81 92.92 50.15 -65.47 -40.60 5.38 0.08 94.54 1.84 0.68 2.82 93.93 0.66 0.01 0.03 0.04 9 Q H H 103.92 3.58 16.70 21.00 92.72 50.80 -65.62 -39.67 8.22 0.07 91.71 2.04 1.06 5.16 89.67 1.99 0.02 0.03 0.04 10 E H H 112.57 2.43 16.80 19.19 93.01 49.93 -67.88 -37.57 14.94 0.08 84.98 2.16 1.49 11.14 82.30 2.80 0.03 0.03 0.05 11 Q H H 79.08 7.53 14.49 23.23 94.04 50.09 -70.75 -32.06 27.97 0.20 71.83 5.14 3.32 19.77 68.06 3.45 0.04 0.08 0.12 12 L H H 66.27 11.01 12.38 24.11 96.06 59.57 -74.12 -20.94 48.93 1.11 49.97 24.39 8.66 17.60 42.51 5.68 0.04 0.48 0.64 13 R C C 143.23 4.57 14.42 20.34 99.16 68.82 -78.72 -9.96 64.11 1.82 34.06 39.96 8.27 15.73 26.77 7.40 0.01 0.90 0.95 14 T C C 85.46 4.76 13.63 19.65 105.00 80.92 -88.23 2.33 77.20 1.44 21.35 41.22 17.76 18.40 13.74 7.39 0.01 0.64 0.84 15 D C C 102.81 3.94 15.54 20.74 106.51 30.09 -91.23 83.15 90.85 1.23 7.92 62.20 14.39 14.37 3.37 4.31 0.00 0.60 0.75 16 I C C 53.05 16.56 10.72 26.67 117.20 133.89 -96.20 130.71 99.09 0.74 0.17 79.83 18.88 0.36 0.08 0.07 0.00 0.25 0.52 17 P C C 50.08 9.74 16.71 27.75 115.91 -112.46 -67.19 151.91 99.61 0.21 0.18 93.84 3.83 1.97 0.03 0.14 0.00 0.10 0.08 18 A C C 69.65 6.26 21.29 28.15 112.46 -106.07 -74.30 135.57 99.09 0.73 0.17 86.08 10.40 2.53 0.02 0.22 0.00 0.27 0.47 19 F C C 17.92 23.78 10.83 33.98 122.38 -148.50 -106.37 140.93 97.00 2.96 0.04 93.81 2.71 0.08 0.01 0.02 0.00 0.50 2.87 20 R C C 125.73 3.59 24.22 27.97 129.20 -164.61 -120.01 156.07 99.88 0.11 0.01 99.57 0.34 0.01 0.00 0.00 0.00 0.03 0.05 21 P C T 70.32 11.75 15.09 27.35 110.83 -83.11 -59.37 137.29 99.84 0.07 0.09 0.14 1.17 98.58 0.00 0.05 0.00 0.03 0.02 22 G C T 40.04 4.99 19.75 25.81 96.23 26.54 91.09 -7.02 99.92 0.03 0.05 0.20 1.16 98.58 0.00 0.03 0.00 0.02 0.00 23 D C C 34.08 12.90 16.16 30.51 118.72 131.81 -71.76 149.37 94.21 5.79 0.01 93.19 1.21 0.02 0.00 0.00 0.00 5.44 0.13 24 T E E 54.53 9.67 22.31 32.61 119.25 -130.99 -102.73 133.65 1.40 98.60 0.00 1.46 0.02 0.00 0.00 0.00 0.00 98.37 0.14 25 V E E 5.49 24.41 15.69 40.58 127.86 -170.88 -123.69 143.92 0.21 99.79 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 26 R E E 94.07 8.14 25.59 34.22 115.95 -137.62 -100.18 127.10 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 27 V E E 4.13 25.51 16.00 42.41 121.01 -165.14 -113.43 132.06 0.21 99.79 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.82 0.00 28 H E E 56.55 9.62 25.04 35.27 122.80 -167.82 -117.18 134.49 0.18 99.82 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 29 A E E 8.29 21.73 16.45 38.33 127.27 -169.27 -123.99 141.39 0.22 99.78 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.81 0.00 30 K E E 77.33 8.43 21.91 31.09 117.77 -147.90 -106.56 127.65 0.47 99.53 0.00 0.43 0.00 0.00 0.00 0.00 0.00 99.56 0.00 31 V E E 24.39 16.06 13.74 30.61 123.33 -168.48 -116.54 137.82 0.96 99.04 0.00 0.82 0.04 0.00 0.00 0.00 0.00 99.12 0.01 32 V E E 69.73 6.47 14.22 22.62 115.94 -143.22 -105.40 126.56 4.71 95.28 0.01 3.93 0.38 0.05 0.00 0.01 0.00 95.54 0.09 33 E E E 100.64 5.91 10.05 17.85 114.56 -177.40 -124.24 110.98 17.96 81.63 0.41 10.10 4.85 3.14 0.05 0.42 0.00 81.02 0.42 34 G C T 63.00 0.57 12.23 11.69 109.72 -48.09 63.43 -128.77 99.21 0.29 0.50 1.72 12.30 85.07 0.01 0.62 0.00 0.23 0.05 35 T C T 129.76 0.34 10.33 9.25 97.04 -22.88 -89.46 0.63 99.32 0.25 0.44 1.63 13.46 84.15 0.01 0.52 0.00 0.19 0.04 36 R E E 147.10 2.12 10.19 14.03 121.45 89.76 -104.12 142.89 15.42 84.52 0.06 10.13 4.88 0.62 0.01 0.05 0.00 83.91 0.40 37 E E E 117.37 6.31 9.83 18.19 119.35 -144.33 -102.05 134.31 5.88 94.12 0.00 5.08 0.24 0.02 0.00 0.00 0.00 94.61 0.04 38 R E E 103.35 6.05 14.33 22.25 128.69 -177.36 -130.08 147.27 1.67 98.33 0.00 1.47 0.06 0.00 0.00 0.00 0.00 98.46 0.01 39 I E E 87.05 9.76 14.27 25.18 118.11 -136.39 -102.00 131.23 0.65 99.35 0.00 0.59 0.01 0.00 0.00 0.00 0.00 99.39 0.00 40 Q E E 55.13 11.79 16.55 29.44 129.63 -175.27 -129.26 146.25 0.28 99.72 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.75 0.00 41 L E E 73.80 10.29 19.89 30.79 117.08 -131.84 -96.47 131.41 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.82 0.00 42 F E E 14.89 20.75 16.66 37.65 130.77 -174.90 -128.18 150.30 0.18 99.82 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 43 E E E 70.94 10.95 25.39 36.43 123.75 -148.81 -115.14 137.96 0.41 99.59 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.67 0.00 44 G E E 4.00 18.88 22.49 41.46 145.08 125.28 -153.30 -173.31 0.76 99.24 0.00 0.55 0.05 0.00 0.00 0.00 0.00 99.39 0.00 45 V E E 30.50 13.16 26.24 40.41 122.31 -73.66 -112.48 137.09 0.24 99.76 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 46 V E E 6.54 24.17 17.99 43.11 109.48 -117.85 -75.67 124.18 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 47 I E E 43.67 12.37 23.36 36.45 100.81 174.31 -98.96 -31.34 0.49 99.51 0.00 0.35 0.06 0.00 0.00 0.00 0.00 99.58 0.00 48 K E E 78.97 6.91 25.28 33.18 141.54 -1.18 -157.55 151.72 0.44 99.56 0.00 0.33 0.04 0.00 0.00 0.00 0.00 99.62 0.00 49 R E E 77.40 19.63 13.82 32.03 125.55 -159.07 -126.70 132.28 2.51 97.49 0.00 2.38 0.09 0.01 0.00 0.00 0.00 97.42 0.10 50 R E E 122.54 5.37 18.47 24.98 124.95 -175.23 -124.79 143.44 33.47 66.48 0.05 27.92 3.98 0.37 0.01 0.04 0.00 67.18 0.50 51 G C C 47.82 3.26 15.15 19.63 122.73 14.51 95.62 -168.17 79.08 20.79 0.13 45.25 30.31 2.58 0.01 0.16 0.00 21.17 0.51 52 A C C 82.89 3.24 13.16 18.06 121.64 -109.66 -122.27 134.47 86.06 13.53 0.41 41.37 41.29 3.85 0.07 0.46 0.00 10.95 2.02 53 G C S 48.54 2.22 15.30 18.01 120.41 1.08 77.67 -153.36 91.99 2.73 5.27 6.77 60.82 24.62 0.29 4.90 0.00 1.66 0.94 54 I C T 117.46 5.84 13.58 20.57 94.25 -34.56 -73.63 -18.63 91.21 0.96 7.82 3.36 30.94 55.60 0.20 8.99 0.00 0.58 0.34 55 S C T 59.10 7.47 15.94 24.37 98.39 56.69 -94.58 4.23 81.26 11.34 7.40 14.28 20.99 44.38 0.19 9.13 0.00 10.45 0.57 56 E C C 41.58 13.44 14.97 29.62 116.00 115.01 -82.78 140.03 64.39 34.63 0.98 58.37 3.56 1.00 0.07 0.88 0.00 35.63 0.47 57 T E E 33.52 12.36 21.19 34.29 130.94 -164.07 -128.04 149.38 9.47 90.52 0.02 8.46 0.63 0.03 0.00 0.01 0.00 90.64 0.21 58 Y E E 15.11 21.45 19.02 40.63 125.67 -158.06 -119.03 140.19 0.63 99.37 0.00 0.54 0.02 0.00 0.00 0.00 0.00 99.44 0.01 59 T E E 22.27 13.07 25.00 39.05 120.97 -153.64 -112.58 134.05 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 60 V E E 5.53 23.49 19.45 43.43 121.49 -164.57 -113.57 132.54 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 61 R E E 62.95 13.37 23.35 36.61 123.52 -166.26 -114.09 136.50 0.50 99.49 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.54 0.00 62 K E E 52.60 14.16 18.88 33.21 131.92 -167.33 -129.40 146.36 1.30 98.70 0.00 1.08 0.08 0.00 0.00 0.00 0.00 98.82 0.01 63 V E E 58.60 11.42 16.01 28.40 117.39 -139.84 -105.18 126.20 3.53 96.45 0.01 2.97 0.33 0.03 0.00 0.01 0.00 96.57 0.09 64 S E E 44.49 9.18 11.91 22.72 126.01 168.81 -137.07 136.08 8.54 91.34 0.12 6.07 1.98 0.51 0.03 0.09 0.00 90.59 0.73 65 N C T 141.95 0.79 14.06 13.98 93.01 -13.71 52.12 42.95 99.31 0.43 0.26 0.43 5.99 92.96 0.01 0.25 0.00 0.31 0.06 66 G C T 57.82 2.43 13.35 16.46 94.59 -49.87 81.56 1.49 99.66 0.17 0.16 0.42 5.88 93.39 0.00 0.16 0.00 0.12 0.02 67 V E E 68.22 7.05 14.84 23.62 123.11 106.23 -112.14 134.93 4.63 95.34 0.03 3.04 1.28 0.13 0.01 0.02 0.00 95.23 0.30 68 G E E 24.40 12.81 14.97 28.46 118.83 -136.41 -86.17 143.85 2.09 97.91 0.00 1.66 0.15 0.01 0.00 0.00 0.00 98.15 0.02 69 V E E 32.50 13.76 18.36 33.24 125.62 -167.14 -125.79 137.24 0.74 99.26 0.00 0.67 0.02 0.00 0.00 0.00 0.00 99.30 0.01 70 E E E 73.74 14.78 18.75 33.16 124.27 -161.33 -117.44 134.54 0.63 99.37 0.00 0.52 0.02 0.00 0.00 0.00 0.00 99.45 0.00 71 R E E 64.81 14.00 20.62 34.64 130.11 -174.83 -131.01 143.58 0.19 99.81 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 72 T E E 53.02 14.02 21.20 34.85 122.54 -154.17 -116.90 132.34 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 73 F E E 19.78 19.11 18.53 37.88 128.25 -172.64 -130.54 141.14 0.77 99.23 0.00 0.68 0.01 0.00 0.00 0.00 0.00 99.29 0.01 74 P E E 44.59 8.80 23.92 33.52 114.08 -108.93 -67.04 144.02 7.53 92.45 0.02 6.44 0.53 0.09 0.00 0.01 0.00 92.71 0.21 75 L C T 29.03 21.44 16.11 36.90 93.39 -115.39 -61.71 -26.87 95.71 3.48 0.81 7.09 11.87 76.71 0.05 0.89 0.00 3.07 0.31 76 H C T 100.44 8.81 22.17 31.49 94.57 57.49 -86.76 5.03 98.19 1.26 0.55 6.57 13.95 77.50 0.03 0.74 0.00 0.96 0.26 77 T C C 21.08 17.70 14.10 32.40 111.88 126.83 -72.65 130.52 97.32 2.25 0.44 66.71 29.99 0.77 0.12 0.34 0.00 1.09 0.98 78 P C T 82.86 5.79 21.27 27.97 92.96 -130.44 -65.19 -22.12 94.88 1.77 3.34 6.74 20.67 67.71 1.08 2.18 0.02 1.21 0.40 79 R C T 82.64 13.06 19.61 32.40 95.73 61.69 -84.93 -5.66 84.33 12.51 3.17 8.98 11.69 64.02 0.99 2.28 0.02 11.32 0.70 80 V E E 10.33 24.39 12.73 36.96 110.31 99.63 -83.87 118.42 9.57 88.86 1.57 8.74 0.73 0.21 1.06 0.41 0.00 88.06 0.79 81 A E E 52.05 6.87 22.47 29.91 100.03 175.90 -91.66 -33.94 8.23 90.81 0.95 6.34 1.24 0.28 0.52 0.24 0.00 91.26 0.13 82 Q E E 80.48 5.61 24.99 31.37 140.44 -2.25 -154.02 152.29 2.40 97.32 0.28 1.82 0.23 0.08 0.10 0.07 0.00 97.68 0.03 83 I E E 21.19 24.27 13.03 36.86 123.45 -159.17 -126.90 129.56 1.46 98.32 0.22 1.32 0.06 0.03 0.13 0.03 0.00 98.40 0.02 84 E E E 88.28 5.40 25.32 30.94 121.75 -169.80 -120.97 131.04 1.13 98.72 0.15 1.01 0.04 0.02 0.12 0.02 0.00 98.78 0.02 85 V E E 48.16 17.81 14.49 31.90 111.29 -132.88 -84.02 123.20 2.88 96.84 0.29 2.75 0.08 0.04 0.24 0.05 0.00 96.78 0.07 86 V E E 65.46 7.71 18.69 27.62 101.91 175.65 -97.24 -32.31 13.84 85.24 0.92 11.77 1.51 0.42 0.57 0.30 0.00 85.21 0.23 87 R E E 109.42 5.88 19.92 26.93 137.03 0.35 -150.51 148.39 22.40 76.34 1.26 18.27 3.44 0.86 0.70 0.51 0.00 75.78 0.45 88 Y C E 113.33 13.95 13.74 27.42 122.84 -160.01 -118.04 134.16 49.89 47.43 2.69 41.82 5.25 1.61 1.34 1.10 0.00 47.98 0.91 89 G C C 27.11 9.31 15.23 25.44 130.22 163.22 -126.95 171.13 81.29 12.39 6.32 53.98 20.96 6.25 4.17 2.16 0.00 11.25 1.22 90 K C C 145.87 2.91 17.90 21.43 109.15 -82.39 -85.74 115.12 75.84 7.47 16.69 50.62 18.10 6.87 13.53 3.82 0.01 5.55 1.49 91 V C C 50.77 14.99 10.90 25.50 116.48 -150.89 -97.51 132.39 68.07 5.74 26.19 52.41 9.32 5.70 22.24 4.86 0.01 4.06 1.41 92 R C C 130.11 6.07 16.44 23.45 111.72 -147.37 -88.70 125.71 66.89 3.94 29.17 52.27 8.13 6.00 24.42 5.45 0.01 2.65 1.06 93 R C H 127.67 8.73 15.38 24.63 97.49 -87.00 -73.09 -28.76 51.89 2.96 45.15 34.42 9.74 8.08 35.44 9.56 0.02 1.89 0.84 94 A C H 48.91 9.55 15.18 25.60 99.28 67.41 -72.07 -25.34 49.25 2.57 48.18 31.24 8.61 9.38 37.61 10.72 0.02 1.73 0.69 95 K C H 97.02 8.99 17.74 27.11 97.85 60.86 -77.00 -6.67 48.69 3.56 47.75 34.15 6.59 8.18 38.13 9.46 0.02 2.60 0.86 96 L H H 36.03 17.35 14.04 30.92 96.65 70.43 -73.65 -23.41 32.20 4.00 63.80 26.45 3.57 3.90 54.33 7.88 0.01 3.27 0.59 97 Y H H 104.45 7.28 18.74 26.80 93.47 76.27 -64.90 -36.34 16.25 3.47 80.28 8.35 2.55 5.98 65.43 13.86 0.04 3.44 0.35 98 Y H H 88.66 8.44 18.13 27.49 92.87 54.01 -67.90 -33.75 13.84 3.17 82.99 6.11 2.10 5.88 65.83 16.54 0.05 3.19 0.30 99 L H H 29.15 18.23 14.10 32.10 93.14 58.75 -69.79 -30.48 9.86 1.59 88.55 4.17 1.50 4.21 66.67 21.75 0.04 1.51 0.16 100 R H H 113.18 9.81 16.63 27.11 92.14 65.30 -65.88 -29.33 21.71 1.62 76.67 4.57 2.87 13.15 59.25 18.35 0.21 1.21 0.39 101 A H H 72.80 3.47 18.62 22.21 95.74 53.72 -89.73 -5.08 46.13 0.89 52.97 7.44 5.39 31.67 40.26 14.16 0.11 0.52 0.44 102 L C C 45.01 16.19 9.26 24.96 113.42 108.00 -77.58 131.06 79.51 1.65 18.84 56.25 14.24 7.76 17.24 2.93 0.00 0.73 0.84 103 H C C 132.65 3.42 16.11 20.68 119.69 -169.56 -113.07 143.20 80.12 2.66 17.22 55.83 12.12 10.48 16.49 2.52 0.00 1.23 1.32 104 G C H 38.20 4.06 16.78 21.59 122.27 14.85 88.98 -167.36 60.28 1.35 38.36 19.60 25.55 15.60 33.86 4.12 0.04 0.53 0.70 105 K H H 123.91 5.71 15.35 22.28 94.07 -44.85 -66.12 -34.04 20.72 0.57 78.71 6.99 4.86 9.86 66.68 10.98 0.07 0.35 0.20 106 A H H 43.23 8.71 14.17 24.36 92.16 54.92 -65.20 -37.97 15.26 0.82 83.92 5.69 2.64 7.30 70.33 13.14 0.05 0.68 0.18 107 A H H 36.09 7.61 14.48 24.05 92.70 53.92 -65.91 -37.22 14.16 1.25 84.59 7.21 2.45 5.24 71.05 12.71 0.03 1.10 0.21 108 R H H 118.94 5.32 17.13 23.28 94.17 54.46 -68.43 -35.98 20.21 2.99 76.79 11.97 3.83 6.41 67.12 7.58 0.06 2.45 0.57 109 I H H 64.74 9.53 13.51 24.23 95.19 55.94 -69.24 -37.53 22.25 3.69 74.06 15.19 4.01 5.06 67.20 4.93 0.03 3.01 0.58 110 K H H 113.17 5.42 14.76 21.26 97.33 55.61 -72.52 -25.91 25.63 3.88 70.49 17.20 3.80 6.05 63.56 5.50 0.03 3.25 0.62 111 E H H 108.11 4.96 13.06 19.30 101.86 68.67 -77.43 -17.59 30.85 3.57 65.59 18.66 4.89 8.67 57.91 6.36 0.05 2.72 0.73 112 I H H 94.12 6.94 10.70 18.93 103.16 62.68 -79.47 -2.33 39.82 3.00 57.18 24.23 6.20 10.67 51.56 4.54 0.04 1.90 0.86 113 R C C 148.38 4.35 10.54 16.54 105.52 63.43 -86.49 52.96 63.09 1.55 35.36 45.27 1.63 14.91 34.30 2.40 0.00 0.84 0.66 114 R C C 158.13 3.81 12.21 17.67 107.63 -151.29 -84.04 90.61 99.82 0.04 0.14 99.54 0.09 0.22 0.11 0.01 0.00 0.02 0.01