# 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 94.09 7.89 15.23 23.75 115.53 -163.56 -91.70 135.58 99.36 0.23 0.40 99.23 0.13 0.12 0.34 0.02 0.00 0.10 0.05 1 A C C 54.70 8.17 13.21 22.22 99.93 -102.08 -71.93 -27.39 52.67 1.49 45.83 47.08 1.14 4.50 44.56 1.47 0.00 0.70 0.54 2 S H H 54.87 7.60 11.82 20.68 96.05 63.02 -68.39 -36.28 31.31 1.05 67.65 22.53 4.03 5.73 64.37 2.48 0.00 0.54 0.31 3 S H H 69.44 3.03 15.09 18.77 94.59 56.72 -68.00 -36.38 16.31 1.29 82.39 10.89 2.71 4.35 76.84 3.97 0.01 0.94 0.28 4 V H H 72.78 6.41 14.73 22.28 93.28 52.96 -66.59 -40.07 10.28 1.89 87.83 6.30 1.78 3.40 82.33 4.19 0.03 1.65 0.31 5 L H H 60.75 11.43 13.73 25.76 93.21 52.21 -66.22 -39.58 8.58 1.92 89.50 5.19 1.47 2.98 83.99 4.30 0.03 1.77 0.27 6 R H H 124.49 5.62 16.66 23.29 92.76 54.37 -65.32 -38.90 10.36 2.03 87.61 5.49 1.61 4.19 82.03 4.49 0.05 1.82 0.32 7 N H H 82.62 4.41 16.89 22.04 94.95 52.85 -69.38 -37.18 15.98 1.61 82.40 6.01 2.30 8.43 76.64 4.89 0.08 1.34 0.31 8 L H H 62.70 11.13 14.29 25.99 94.92 56.31 -69.02 -35.73 19.39 2.00 78.60 7.87 3.04 9.54 72.52 4.96 0.09 1.50 0.48 9 M H H 83.57 10.13 15.01 25.54 97.41 57.09 -75.79 -25.04 30.94 3.86 65.20 16.44 5.49 10.94 58.92 4.53 0.09 2.55 1.03 10 R H H 144.23 4.20 16.56 21.71 99.22 63.78 -77.66 -13.29 45.43 5.78 48.79 22.61 7.41 16.33 43.13 5.02 0.12 3.92 1.46 11 F C H 112.58 7.92 13.26 22.11 106.16 72.88 -86.41 35.66 58.52 6.52 34.96 29.13 11.21 18.58 30.03 4.96 0.11 4.08 1.88 12 S C C 63.53 7.84 13.15 21.90 110.06 103.63 -93.59 97.16 73.40 6.91 19.69 37.90 18.33 17.40 15.59 4.46 0.06 3.87 2.39 13 S C C 61.62 6.63 13.06 21.03 114.45 -148.60 -97.59 123.60 90.54 4.66 4.79 54.91 29.14 6.73 2.86 1.97 0.00 2.48 1.92 14 P C C 80.97 7.30 11.83 20.51 105.77 -133.23 -70.02 113.24 88.16 2.89 8.94 44.80 18.42 25.45 3.15 5.40 0.00 1.70 1.07 15 R C C 154.06 4.27 12.59 18.23 106.06 64.05 -86.97 55.78 84.22 5.59 10.19 39.82 20.51 24.79 3.45 6.20 0.01 3.11 2.11 16 N C C 96.71 5.86 11.57 18.88 109.26 104.26 -95.40 93.01 85.05 5.50 9.45 52.40 18.18 14.46 3.46 6.09 0.00 3.22 2.18 17 T C C 87.91 5.91 11.57 18.86 108.14 110.31 -90.25 81.77 83.63 4.84 11.53 41.21 19.41 23.72 4.31 6.82 0.01 2.86 1.66 18 S C C 75.79 4.59 12.86 18.76 105.48 92.36 -90.65 35.27 82.23 5.68 12.10 34.20 22.97 26.16 4.73 6.76 0.02 3.41 1.74 19 T C C 80.49 7.17 12.33 20.76 112.70 102.67 -98.84 118.78 73.87 12.73 13.39 40.89 20.83 12.88 6.65 6.70 0.04 8.68 3.32 20 R C C 131.54 7.27 13.60 21.99 114.16 -163.60 -98.44 126.98 65.39 20.23 14.39 43.09 14.05 8.23 8.36 6.57 0.07 15.25 4.37 21 S C C 58.28 8.69 14.04 23.69 117.22 -155.02 -100.79 137.10 60.98 23.17 15.85 43.69 9.27 7.27 9.72 6.85 0.06 18.21 4.94 22 F C C 103.95 10.47 13.34 24.25 108.26 -157.18 -93.20 83.03 57.54 19.36 23.10 33.44 12.25 12.76 14.13 9.01 0.20 14.48 3.75 23 S C C 65.08 6.48 15.74 23.05 110.66 76.80 -95.71 105.66 62.50 15.17 22.33 35.49 14.31 13.45 14.49 7.87 0.15 11.36 2.88 24 L C C 81.48 10.21 13.30 24.04 109.60 70.89 -90.07 109.21 61.87 12.84 25.30 37.71 15.32 9.35 18.88 6.53 0.10 9.42 2.69 25 V C C 73.41 7.45 14.99 23.54 114.04 98.22 -93.75 130.20 64.44 8.82 26.74 47.21 11.75 5.18 23.97 3.70 0.02 6.07 2.10 26 T C H 73.91 8.63 13.08 22.50 102.43 -130.71 -74.55 -31.75 49.94 4.27 45.80 35.81 6.99 7.48 40.60 5.12 0.02 3.12 0.87 27 S H H 74.25 3.55 15.74 19.99 96.03 57.60 -70.97 -28.12 41.25 2.79 55.96 25.30 7.54 9.72 48.81 6.06 0.04 1.87 0.66 28 Q H H 88.57 7.49 16.23 24.43 96.06 57.28 -73.93 -31.32 31.45 4.02 64.53 20.35 5.85 7.49 55.99 6.50 0.05 2.96 0.81 29 I H H 45.84 15.80 12.95 28.24 96.31 58.67 -71.84 -34.76 25.39 4.85 69.76 16.92 4.81 6.10 61.62 5.87 0.07 3.74 0.88 30 S H H 56.93 7.30 16.76 24.85 96.40 61.33 -70.46 -33.57 28.81 4.26 66.93 18.08 4.87 7.60 60.03 5.29 0.05 3.26 0.81 31 N H H 98.48 3.79 19.26 23.06 96.71 47.73 -81.15 -15.60 34.08 3.67 62.24 17.55 6.92 11.61 55.01 5.37 0.10 2.57 0.88 32 H H H 53.06 13.60 15.80 29.57 97.73 56.93 -83.83 -26.12 37.68 3.48 58.85 20.64 8.51 10.94 51.80 4.90 0.11 2.04 1.08 33 T H H 34.19 14.79 15.08 29.90 94.35 64.58 -65.85 -40.44 30.60 1.97 67.43 18.62 5.93 8.09 59.54 6.00 0.05 1.18 0.59 34 A H H 53.97 4.46 18.29 23.36 92.15 54.16 -64.40 -39.35 22.93 1.53 75.55 11.12 4.28 8.93 62.58 11.52 0.08 1.10 0.40 35 K H H 105.12 4.62 18.60 23.73 92.80 51.77 -66.85 -39.20 19.70 2.64 77.65 9.61 3.47 7.65 61.42 15.03 0.10 2.19 0.52 36 W H H 56.95 15.27 13.59 28.92 93.06 51.47 -67.65 -38.07 16.29 2.40 81.31 6.91 2.79 7.02 62.53 18.23 0.12 1.96 0.44 37 M H H 90.03 9.34 14.93 24.99 93.38 56.16 -70.86 -24.04 30.86 3.18 65.96 10.44 4.97 16.09 52.64 12.39 0.25 2.29 0.91 38 Q C T 126.19 2.33 16.02 18.52 96.81 58.87 -83.40 -8.22 58.14 2.25 39.60 14.67 9.84 34.17 30.68 8.21 0.16 1.20 1.08 39 D C C 62.60 10.69 9.06 20.50 110.51 107.05 -82.56 116.97 92.88 1.25 5.86 60.14 25.27 7.23 4.55 1.45 0.00 0.48 0.87 40 T C C 109.22 2.22 13.08 16.23 99.21 -167.58 -90.57 -3.89 92.45 1.57 5.98 52.22 22.29 18.22 2.44 3.19 0.00 0.68 0.97 41 S C C 55.18 7.38 9.55 18.62 113.88 100.89 -83.88 134.15 92.30 1.93 5.77 47.12 27.15 18.13 1.74 3.76 0.00 0.75 1.34 42 K C S 157.70 2.42 13.91 17.28 97.10 -148.12 -74.61 -15.72 93.14 1.12 5.74 20.51 37.77 35.36 1.82 3.42 0.00 0.54 0.58 43 K C C 110.05 6.56 13.74 21.63 113.71 75.51 -97.10 120.56 90.44 3.03 6.53 33.80 29.72 27.50 2.65 3.34 0.01 1.28 1.70 44 S C C 32.00 8.71 16.15 26.55 118.92 -134.13 -86.55 150.64 92.71 1.27 6.02 81.90 9.14 0.98 6.14 0.54 0.00 0.36 0.94 45 P H H 37.09 16.26 15.04 31.42 92.01 -115.00 -59.86 -36.23 7.79 0.04 92.17 2.29 0.94 4.40 90.59 1.74 0.01 0.02 0.02 46 M H H 73.32 10.57 17.92 28.89 92.05 54.10 -64.10 -39.84 2.40 0.02 97.59 0.54 0.26 1.48 96.01 1.69 0.00 0.01 0.01 47 E H H 95.00 3.25 20.11 23.20 91.58 50.53 -65.14 -39.98 0.80 0.01 99.19 0.25 0.09 0.43 97.53 1.69 0.00 0.01 0.00 48 L H H 34.00 12.40 16.11 29.68 92.24 51.23 -64.86 -41.12 0.81 0.02 99.17 0.23 0.09 0.48 97.74 1.45 0.00 0.01 0.00 49 I H H 31.15 18.02 14.17 32.05 92.22 51.55 -65.25 -37.57 1.71 0.01 98.28 0.22 0.12 1.29 95.68 2.67 0.00 0.00 0.00 50 N H H 100.65 4.91 17.52 23.53 91.19 56.86 -69.88 -21.39 17.22 0.01 82.76 0.40 0.48 16.63 80.07 2.40 0.01 0.00 0.01 51 E H H 127.39 3.05 17.96 21.23 94.09 55.09 -85.84 -11.46 48.93 0.03 51.04 0.92 2.01 45.07 49.95 2.01 0.01 0.01 0.03 52 V C S 35.90 17.06 10.17 26.85 117.86 87.68 -93.40 132.38 99.51 0.31 0.18 15.90 83.44 0.26 0.13 0.02 0.00 0.06 0.19 53 P C C 82.89 3.28 21.18 24.30 115.02 -113.36 -66.17 147.06 99.33 0.66 0.01 98.02 1.41 0.07 0.00 0.00 0.00 0.35 0.14 54 P C C 55.31 18.36 12.44 29.54 115.15 -105.72 -68.51 143.51 92.33 7.66 0.01 89.38 2.87 0.08 0.00 0.01 0.00 7.33 0.33 55 I E E 61.27 11.32 18.57 30.81 120.36 -154.25 -115.15 129.73 3.45 96.54 0.01 3.20 0.21 0.01 0.00 0.00 0.00 95.70 0.89 56 K E E 118.13 6.84 20.59 28.58 114.80 -127.22 -82.00 131.96 2.89 97.11 0.01 2.80 0.09 0.01 0.00 0.00 0.00 96.70 0.40 57 V E E 18.48 21.05 10.37 30.78 119.99 -163.07 -110.88 132.09 37.40 62.51 0.09 37.12 0.63 0.10 0.02 0.06 0.00 61.29 0.78 58 E C C 148.72 1.76 20.53 21.69 103.53 -162.33 -100.37 18.47 65.78 33.63 0.59 35.73 21.09 9.24 0.06 0.67 0.00 32.23 0.98 59 G C S 33.33 6.41 19.81 26.81 135.35 33.30 -151.14 -173.80 82.21 17.40 0.39 7.74 59.87 12.99 0.01 0.40 0.00 18.52 0.46 60 R C C 98.09 13.98 18.22 31.45 107.02 -77.91 -91.51 55.45 70.53 29.15 0.32 39.92 27.82 1.77 0.03 0.35 0.00 29.62 0.50 61 I E E 55.33 12.76 22.32 35.16 119.38 61.95 -109.19 129.74 16.81 83.15 0.04 15.52 1.11 0.07 0.01 0.03 0.00 82.63 0.63 62 V E E 7.77 23.72 18.61 42.44 124.49 -169.63 -117.83 137.19 2.44 97.55 0.01 2.34 0.08 0.00 0.00 0.00 0.00 97.31 0.26 63 A E E 25.00 14.14 26.36 40.53 131.07 -167.96 -126.55 147.76 4.22 95.77 0.02 3.93 0.21 0.02 0.00 0.01 0.00 95.62 0.22 64 C E E 10.64 22.20 17.74 39.66 123.69 -150.33 -114.26 142.77 30.42 69.50 0.08 27.49 1.99 0.17 0.02 0.05 0.00 69.18 1.09 65 E C C 83.34 8.84 22.84 31.95 102.50 -140.68 -87.36 15.17 73.39 26.39 0.22 65.67 5.77 0.82 0.05 0.20 0.00 25.50 1.99 66 G C C 25.21 14.41 14.86 28.94 101.81 -140.41 76.16 6.56 94.24 4.99 0.77 66.82 19.75 7.51 0.14 0.82 0.00 3.20 1.74 67 D C C 77.13 7.20 15.16 23.29 116.64 130.66 -92.58 155.12 95.48 2.92 1.60 40.28 34.29 20.78 0.22 1.67 0.00 1.38 1.39 68 T C S 110.76 2.35 14.50 17.71 97.41 -97.61 -78.19 -7.54 96.78 1.32 1.90 15.22 58.32 23.15 0.24 1.71 0.00 0.62 0.74 69 N C C 76.15 6.56 12.29 20.58 109.53 79.33 -104.95 99.09 96.53 2.52 0.95 51.34 41.88 2.81 0.23 0.72 0.00 0.75 2.27 70 P H G 89.77 6.24 12.13 20.27 94.22 -164.26 -64.49 -24.57 48.54 0.40 51.07 4.28 5.88 34.57 1.28 53.63 0.00 0.20 0.16 71 A C G 74.99 4.20 15.89 21.05 93.73 60.37 -70.68 -22.07 49.98 0.33 49.69 2.02 4.60 40.79 1.52 50.75 0.00 0.18 0.13 72 L C G 63.20 11.25 14.69 26.58 99.46 43.95 -94.01 -6.40 49.73 1.26 49.01 6.86 8.83 33.24 2.23 47.62 0.01 0.70 0.52 73 G C C 24.52 11.53 18.16 29.99 109.09 -120.68 69.08 4.93 88.37 5.10 6.54 49.83 26.35 11.83 1.35 4.98 0.00 1.91 3.74 74 H C C 55.45 16.10 18.26 33.77 117.19 16.98 -97.61 132.46 93.11 6.64 0.25 63.76 28.90 1.08 0.06 0.22 0.00 3.79 2.20 75 P C C 31.18 15.71 20.00 35.88 114.97 -118.00 -68.96 148.42 90.02 9.86 0.12 77.45 11.56 0.72 0.02 0.12 0.00 9.13 0.99 76 I E E 58.77 15.81 20.61 35.59 121.49 -151.06 -110.68 132.79 16.70 83.28 0.02 11.88 4.97 0.13 0.00 0.02 0.00 82.27 0.72 77 E E E 41.71 16.45 20.94 37.18 125.05 -165.99 -121.29 135.98 0.97 99.03 0.00 0.85 0.05 0.00 0.00 0.00 0.00 99.06 0.03 78 F E E 54.11 15.28 22.46 37.56 119.20 -155.32 -109.04 129.75 0.44 99.56 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.01 79 I E E 11.85 21.31 19.40 40.81 118.84 -164.60 -113.56 126.50 1.45 98.55 0.00 1.34 0.04 0.00 0.00 0.00 0.00 98.55 0.05 80 C E E 38.04 9.95 24.24 35.09 109.53 -142.51 -92.98 115.44 12.50 87.41 0.09 11.59 0.62 0.10 0.02 0.05 0.00 87.20 0.41 81 L C C 18.22 21.82 13.85 35.52 101.04 -168.28 -87.91 -4.05 79.28 19.63 1.08 41.51 17.57 20.13 0.10 1.10 0.00 18.64 0.95 82 D C C 98.97 4.22 20.08 24.71 96.25 92.30 -87.43 6.62 93.48 5.90 0.62 38.75 31.77 23.13 0.06 0.75 0.00 4.82 0.72 83 L C C 59.05 9.93 11.23 22.79 122.63 95.68 -97.14 146.95 95.65 4.10 0.25 55.62 39.06 1.46 0.05 0.19 0.00 2.21 1.41 84 P C S 110.03 2.41 15.33 18.58 95.99 -120.23 -68.47 -20.02 98.47 1.42 0.11 22.30 71.65 4.61 0.01 0.12 0.00 1.08 0.22 85 E C S 118.52 2.32 18.46 21.02 130.64 37.06 -130.81 155.28 95.92 4.03 0.05 10.09 84.87 1.35 0.00 0.04 0.00 3.35 0.30 86 P C C 63.05 12.05 15.19 27.69 114.11 -77.56 -64.57 144.42 89.69 10.27 0.05 86.32 2.77 0.35 0.00 0.05 0.00 10.08 0.42 87 A E E 19.93 16.17 16.46 33.22 127.07 -163.38 -122.29 145.91 18.20 81.77 0.03 16.27 1.67 0.08 0.01 0.02 0.00 80.66 1.29 88 V E E 72.33 8.25 23.59 32.20 119.64 -132.38 -106.46 134.25 2.15 97.84 0.01 2.19 0.09 0.00 0.01 0.00 0.00 85.16 12.54 89 C C C 5.79 23.60 11.76 36.10 109.11 -118.85 -73.06 125.51 82.52 17.46 0.02 84.23 0.22 0.03 0.00 0.01 0.00 14.51 1.01 90 K C T 123.64 5.15 20.98 27.15 93.08 -150.65 -68.84 -25.83 99.75 0.08 0.17 0.25 2.67 96.86 0.00 0.15 0.00 0.05 0.02 91 Y C T 96.01 11.07 18.67 29.85 100.51 45.36 -85.67 -40.61 99.82 0.03 0.14 0.04 1.57 98.27 0.00 0.10 0.00 0.01 0.01 92 C C T 34.28 13.34 16.71 30.77 102.87 17.13 -109.56 -12.82 99.81 0.06 0.13 0.20 2.00 97.66 0.00 0.10 0.00 0.03 0.01 93 G C C 31.97 7.72 20.16 29.11 95.06 -119.73 81.51 7.59 99.34 0.60 0.07 91.48 3.96 3.94 0.01 0.05 0.00 0.33 0.23 94 L C C 31.83 15.92 16.68 33.56 117.15 143.75 -76.17 141.52 93.75 6.24 0.00 93.68 1.05 0.02 0.00 0.00 0.00 4.62 0.62 95 R E E 87.44 11.27 23.33 34.69 118.00 -134.53 -96.22 133.52 1.23 98.77 0.00 1.23 0.04 0.00 0.00 0.00 0.00 95.47 3.26 96 Y E E 15.98 22.85 17.18 39.91 126.61 -169.98 -117.95 144.37 3.26 96.74 0.00 3.13 0.09 0.00 0.00 0.00 0.00 96.68 0.09 97 V E E 42.77 11.15 22.58 34.48 125.70 -157.22 -119.44 140.79 12.04 87.89 0.07 11.72 0.46 0.06 0.03 0.04 0.00 85.98 1.72 98 Q C C 47.65 15.58 14.72 30.47 114.57 -121.86 -81.60 135.67 59.11 39.29 1.60 53.65 3.72 1.08 0.41 1.17 0.00 38.22 1.75 99 D C C 80.14 7.10 15.13 23.29 107.06 -137.44 -84.56 93.32 81.61 4.29 14.10 44.13 18.02 18.11 1.32 14.56 0.00 3.21 0.65 100 H C C 128.15 4.29 13.02 18.58 100.32 51.12 -81.51 10.16 83.84 1.66 14.50 32.44 18.80 31.70 1.39 14.15 0.00 0.90 0.63 101 H C C 105.79 7.48 9.71 18.39 105.42 89.43 -91.03 21.63 85.69 1.73 12.58 61.32 4.96 19.14 1.78 11.08 0.00 1.01 0.71 102 H C C 115.72 6.38 11.38 19.23 108.54 112.67 -93.38 93.87 99.77 0.09 0.13 99.23 0.30 0.34 0.04 0.03 0.00 0.04 0.03