# 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 K C C 129.00 5.82 14.09 21.58 114.94 -160.17 -96.14 128.82 99.89 0.10 0.02 99.83 0.07 0.03 0.01 0.00 0.00 0.05 0.01 1 R C C 144.16 5.26 12.49 19.59 116.52 -161.54 -99.86 132.32 92.78 4.42 2.80 86.39 1.37 5.59 0.97 1.24 0.00 3.18 1.27 2 Q C C 120.35 4.57 14.38 20.45 110.46 -139.77 -90.91 113.54 88.16 8.68 3.17 60.01 18.03 10.06 0.82 2.58 0.00 6.38 2.12 3 V C C 41.65 16.64 10.94 26.99 116.70 -155.08 -99.96 127.89 84.44 12.09 3.47 65.57 14.30 4.47 1.06 2.54 0.00 9.14 2.91 4 A C C 61.01 6.66 19.79 26.86 100.16 -143.22 -76.36 -22.96 87.38 9.56 3.06 66.58 13.82 6.74 0.72 2.48 0.00 8.20 1.46 5 S C C 51.34 10.19 19.97 30.16 128.79 14.39 -127.88 148.53 81.66 16.55 1.79 45.60 26.14 10.33 0.26 1.62 0.00 14.76 1.27 6 G C E 11.08 15.70 19.84 35.40 137.98 117.47 142.54 -173.50 54.29 45.10 0.60 37.53 13.17 3.26 0.09 0.55 0.00 44.70 0.70 7 R E E 75.75 12.34 25.75 38.40 128.87 -100.56 -125.45 143.51 8.47 91.48 0.05 7.72 0.61 0.06 0.01 0.02 0.00 91.18 0.38 8 A E E 2.05 26.45 19.85 46.87 125.22 -163.27 -119.03 137.16 2.09 97.90 0.01 1.90 0.10 0.01 0.00 0.00 0.00 97.94 0.04 9 Y E E 44.81 13.78 28.48 42.82 119.49 -162.28 -113.57 128.34 0.63 99.37 0.00 0.56 0.02 0.00 0.00 0.00 0.00 99.40 0.01 10 I E E 3.59 26.39 21.01 47.90 119.85 -165.38 -115.39 127.72 0.46 99.54 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.55 0.01 11 H E E 58.61 11.36 28.32 40.26 121.91 -171.01 -119.32 131.11 0.83 99.17 0.00 0.74 0.03 0.00 0.00 0.00 0.00 99.20 0.02 12 A E E 17.39 22.53 17.63 39.16 123.98 -167.85 -115.98 135.89 10.34 89.64 0.02 8.84 0.91 0.07 0.00 0.01 0.00 89.95 0.21 13 S C C 33.90 8.70 23.07 32.01 132.89 174.34 -126.63 172.69 71.53 28.39 0.08 65.43 4.23 0.29 0.02 0.06 0.00 29.26 0.72 14 Y C S 135.88 8.32 18.66 27.64 93.27 -89.20 -63.35 -33.09 98.62 0.88 0.50 2.31 61.12 35.44 0.02 0.38 0.00 0.60 0.13 15 N C S 89.32 7.66 19.48 27.52 102.02 18.42 -108.48 -3.42 98.97 0.58 0.44 2.14 59.71 37.29 0.02 0.37 0.00 0.40 0.08 16 N E E 39.86 12.38 21.43 34.08 141.77 22.59 -154.10 159.01 46.82 53.01 0.18 33.30 11.39 1.56 0.02 0.19 0.00 52.98 0.56 17 T E E 5.71 23.96 18.21 42.78 122.79 -139.93 -118.53 133.34 3.87 96.13 0.00 3.51 0.10 0.00 0.00 0.00 0.00 96.33 0.05 18 I E E 26.08 13.91 27.70 42.45 118.87 -161.12 -112.52 126.21 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 19 V E E 2.16 26.41 21.97 48.97 120.13 -166.49 -114.65 129.42 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 20 T E E 17.88 15.47 28.63 44.58 123.12 -167.94 -117.37 135.16 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 21 I E E 2.36 26.14 22.35 49.08 120.96 -163.76 -115.33 130.35 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 22 T E E 18.03 14.05 24.63 39.24 133.02 -175.87 -128.33 156.66 0.92 99.08 0.00 0.89 0.03 0.00 0.00 0.00 0.00 98.76 0.33 23 D C C 24.54 14.23 19.47 34.19 123.96 -119.90 -80.90 173.85 93.32 6.66 0.01 93.48 0.36 0.04 0.00 0.01 0.00 5.77 0.34 24 P C T 72.64 12.61 15.76 28.75 90.43 -92.28 -63.52 -20.61 99.36 0.08 0.56 0.26 2.74 96.42 0.01 0.51 0.00 0.04 0.02 25 D C T 110.46 1.69 18.67 19.57 92.40 56.57 -87.41 0.53 99.32 0.06 0.62 0.24 2.84 96.30 0.01 0.56 0.00 0.03 0.01 26 G C S 30.61 12.26 13.44 26.02 96.59 -105.26 85.99 7.06 99.11 0.43 0.46 23.79 74.16 1.26 0.05 0.34 0.00 0.18 0.22 27 N C C 86.88 3.88 20.12 24.93 115.90 142.42 -80.92 137.02 98.46 1.48 0.06 93.38 5.08 0.19 0.02 0.03 0.00 0.73 0.57 28 P E E 58.87 15.84 14.95 30.35 110.30 -112.26 -70.25 128.68 4.87 95.11 0.02 4.67 0.29 0.02 0.01 0.01 0.00 92.59 2.39 29 I E E 56.53 12.66 19.46 32.54 101.76 174.41 -99.76 -30.62 3.36 96.64 0.00 1.93 1.22 0.03 0.00 0.00 0.00 96.78 0.03 30 T E E 29.17 14.21 22.02 36.69 141.91 1.17 -154.71 151.82 0.42 99.58 0.00 0.32 0.03 0.00 0.00 0.00 0.00 99.63 0.00 31 W E E 88.19 20.10 20.18 38.22 133.19 -171.17 -140.67 142.53 0.40 99.60 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.01 32 S E E 19.63 16.60 24.83 41.05 137.65 170.61 -143.35 154.25 1.64 98.35 0.00 1.48 0.07 0.00 0.00 0.00 0.00 98.40 0.05 33 S E E 26.84 17.88 23.90 40.53 131.86 -152.54 -124.30 153.43 13.30 86.63 0.06 11.74 1.25 0.13 0.02 0.04 0.00 86.28 0.54 34 G C C 8.17 22.36 19.35 40.85 97.78 -136.95 -76.62 -19.27 61.30 13.11 25.59 38.96 12.69 11.21 8.60 15.91 0.10 10.65 1.87 35 G C G 24.47 14.83 20.98 34.58 98.74 75.66 -39.63 -23.43 48.57 3.24 48.19 14.64 12.62 22.86 13.71 32.94 0.09 1.93 1.20 36 V H G 84.28 8.48 22.18 30.64 97.23 46.95 -87.07 -11.23 46.32 3.40 50.28 11.82 10.54 24.76 15.71 33.60 0.17 2.06 1.34 37 I C T 66.54 13.66 17.23 30.56 104.91 73.31 -87.10 25.53 53.52 4.66 41.82 11.88 13.59 29.05 14.39 25.66 0.46 2.66 2.30 38 G C T 36.23 8.36 19.34 27.99 106.66 -54.24 95.66 8.17 81.45 4.95 13.60 28.55 18.95 35.03 4.97 7.62 0.05 2.53 2.30 39 Y C C 74.43 15.74 12.17 27.36 114.15 105.29 -92.73 126.17 84.00 11.05 4.95 59.73 16.34 6.99 2.19 2.76 0.01 4.80 7.19 40 K C T 148.09 3.22 15.37 20.29 113.30 -131.45 -77.71 132.81 85.25 7.00 7.75 27.91 20.94 37.01 2.05 5.29 0.02 3.55 3.23 41 G C T 57.62 1.81 15.18 17.23 101.65 11.29 82.05 -4.01 86.99 2.22 10.79 13.93 27.21 46.06 1.89 8.50 0.01 1.09 1.30 42 S C S 65.83 7.35 12.17 20.70 103.46 77.49 -91.96 8.01 78.67 2.55 18.78 26.18 27.46 25.50 3.22 14.89 0.01 1.08 1.66 43 R C S 156.89 4.89 16.13 22.31 97.49 55.20 -79.67 -4.80 75.83 3.81 20.36 25.20 27.17 24.72 3.68 15.26 0.03 1.73 2.21 44 K C C 108.63 7.59 18.68 27.00 112.43 81.58 -93.14 125.99 76.79 6.35 16.85 35.06 23.25 19.25 4.01 12.00 0.05 2.82 3.56 45 G C C 18.20 19.44 15.66 33.59 117.50 -130.21 -82.79 141.33 86.54 4.68 8.78 60.97 15.71 9.16 3.64 5.01 0.00 1.77 3.73 46 T C C 43.41 11.50 24.11 35.46 122.72 -121.91 -101.86 153.71 87.02 0.84 12.14 66.98 17.20 1.15 13.40 0.38 0.00 0.18 0.69 47 P H H 47.89 17.34 20.34 36.46 93.31 -110.98 -61.07 -35.78 7.97 0.04 91.99 1.33 1.20 5.06 91.72 0.65 0.01 0.01 0.02 48 Y H H 112.21 6.50 27.55 34.76 91.71 53.80 -64.33 -40.81 3.35 0.02 96.63 0.53 0.34 2.21 96.45 0.45 0.01 0.01 0.01 49 A H H 7.13 19.87 23.48 43.21 91.49 50.63 -64.29 -42.57 0.55 0.00 99.44 0.15 0.04 0.25 99.35 0.20 0.00 0.00 0.00 50 A H H 1.16 27.23 22.48 49.86 91.25 50.67 -63.87 -42.39 0.13 0.00 99.87 0.02 0.01 0.06 99.85 0.06 0.00 0.00 0.00 51 Q H H 59.33 14.45 28.59 42.72 91.54 50.83 -63.73 -42.01 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.02 0.00 0.00 0.00 52 L H H 54.46 8.66 30.33 40.88 91.49 50.11 -63.84 -42.43 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 53 A H H 2.15 24.66 25.83 50.02 91.87 49.72 -64.12 -43.18 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 54 A H H 0.97 27.50 24.87 52.33 91.39 50.77 -63.25 -43.07 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 55 L H H 61.28 10.85 29.46 41.20 91.56 49.99 -63.38 -42.44 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 56 D H H 50.77 8.22 29.70 39.60 91.56 48.96 -64.40 -41.84 0.24 0.00 99.76 0.02 0.01 0.17 99.77 0.03 0.00 0.00 0.00 57 A H H 1.16 26.20 23.76 49.85 91.67 50.22 -64.24 -43.42 0.17 0.00 99.83 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 58 A H H 4.71 24.11 22.76 46.27 91.33 51.39 -62.90 -42.86 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.01 0.00 0.00 0.00 59 K H H 110.16 3.89 28.37 32.71 91.37 50.11 -63.45 -42.29 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 60 K H H 68.10 10.07 25.22 35.55 91.81 48.92 -64.84 -41.61 0.09 0.00 99.91 0.00 0.00 0.07 99.89 0.03 0.00 0.00 0.00 61 A H H 1.37 26.35 15.22 42.37 91.25 50.49 -63.58 -42.96 0.24 0.00 99.76 0.02 0.01 0.18 99.66 0.14 0.00 0.00 0.00 62 M H H 78.35 12.71 19.07 31.45 91.41 50.45 -63.47 -40.05 0.94 0.00 99.06 0.05 0.03 0.82 98.42 0.69 0.00 0.00 0.00 63 A H H 85.37 1.60 21.06 21.87 90.00 55.07 -65.38 -26.78 7.65 0.00 92.35 0.10 0.15 7.94 91.19 0.62 0.00 0.00 0.00 64 Y C T 93.93 11.35 15.19 27.34 94.09 51.79 -90.39 2.41 81.36 0.02 18.62 0.28 0.88 80.12 18.01 0.68 0.00 0.00 0.02 65 G C T 46.64 3.32 22.47 25.90 98.71 -99.53 91.59 10.09 99.83 0.01 0.16 1.15 0.83 97.94 0.05 0.02 0.00 0.00 0.00 66 M C C 19.23 23.01 10.82 33.15 113.66 148.94 -79.32 131.07 94.85 5.06 0.09 95.01 0.45 0.09 0.02 0.03 0.00 4.04 0.37 67 Q C C 107.75 5.38 23.44 29.71 100.87 177.03 -104.64 -15.60 89.93 10.02 0.05 66.84 22.04 0.51 0.00 0.06 0.00 10.30 0.24 68 S E E 36.62 10.30 25.42 36.50 136.81 28.18 -144.47 150.66 23.57 76.32 0.10 18.58 4.01 0.42 0.01 0.09 0.00 76.58 0.31 69 V E E 2.35 27.24 17.18 45.67 126.91 -165.29 -130.54 136.64 1.66 98.34 0.01 1.55 0.06 0.00 0.00 0.00 0.00 98.33 0.06 70 D E E 35.37 11.68 28.42 41.24 117.73 -156.56 -107.45 127.34 0.47 99.53 0.00 0.39 0.02 0.00 0.00 0.00 0.00 99.58 0.01 71 V E E 2.21 26.85 20.58 48.27 119.75 -164.28 -114.12 127.69 0.26 99.74 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.76 0.00 72 I E E 31.74 13.14 27.97 41.94 116.47 -163.18 -110.51 122.93 0.25 99.75 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.01 73 V E E 4.86 25.21 18.47 44.20 119.60 -167.76 -111.37 129.06 1.96 98.04 0.00 1.94 0.04 0.00 0.00 0.00 0.00 97.95 0.07 74 R E E 101.47 9.70 24.70 34.27 117.01 -162.70 -106.51 127.90 33.04 66.92 0.04 26.07 5.85 0.31 0.00 0.04 0.00 67.32 0.40 75 G C C 22.45 9.58 21.45 31.67 137.85 40.64 138.91 -176.35 85.61 14.28 0.12 44.27 39.48 1.99 0.01 0.12 0.00 13.41 0.71 76 T C C 76.79 8.81 19.07 28.31 118.18 -64.52 -90.65 145.04 95.80 3.82 0.38 58.60 34.67 2.89 0.09 0.33 0.00 2.53 0.89 77 G C S 29.75 6.45 19.72 27.42 136.65 72.64 132.93 -172.17 93.93 1.38 4.69 22.69 65.84 5.59 2.96 1.28 0.00 0.41 1.24 78 A C T 77.97 4.21 20.86 25.54 102.30 -41.80 -67.70 62.09 81.97 0.31 17.73 2.69 13.87 65.61 12.51 4.82 0.03 0.13 0.35 79 G C T 15.25 16.90 17.25 33.66 95.23 36.87 -37.60 -6.86 81.50 0.19 18.31 9.80 7.34 63.59 15.86 3.16 0.00 0.07 0.17 80 R H H 45.89 21.06 16.75 36.69 92.96 100.70 -60.71 -42.21 4.55 0.02 95.43 1.93 0.67 1.82 94.37 1.20 0.00 0.00 0.01 81 E H H 110.26 5.43 24.72 30.87 91.69 51.18 -63.55 -41.37 0.93 0.00 99.07 0.20 0.08 0.49 98.82 0.40 0.00 0.00 0.00 82 Q H H 73.23 6.56 25.59 32.59 91.78 49.82 -64.91 -41.34 0.33 0.00 99.67 0.06 0.02 0.17 99.51 0.24 0.00 0.00 0.00 83 A H H 2.05 25.66 19.40 45.21 91.77 50.13 -64.32 -42.96 0.30 0.00 99.70 0.06 0.02 0.15 99.67 0.10 0.00 0.00 0.00 84 I H H 19.98 21.01 22.39 42.24 91.57 49.98 -63.37 -42.91 0.21 0.00 99.79 0.03 0.01 0.11 99.83 0.02 0.00 0.00 0.00 85 R H H 130.80 2.92 27.39 29.94 91.40 50.78 -63.23 -42.37 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 86 A H H 18.57 12.91 21.64 35.45 91.57 50.46 -63.99 -42.35 0.10 0.00 99.90 0.01 0.00 0.06 99.89 0.03 0.00 0.00 0.00 87 L H H 2.81 26.54 15.54 42.65 91.55 49.98 -64.24 -42.50 0.20 0.00 99.80 0.01 0.01 0.15 99.74 0.10 0.00 0.00 0.00 88 Q H H 97.14 9.43 19.60 29.55 91.28 51.19 -62.85 -40.00 0.65 0.00 99.35 0.03 0.02 0.57 99.08 0.30 0.00 0.00 0.00 89 A H H 83.47 2.01 20.04 21.91 90.03 55.81 -65.76 -24.22 9.50 0.00 90.49 0.13 0.19 9.84 89.39 0.44 0.01 0.00 0.00 90 S C T 37.41 13.44 14.48 28.58 92.96 54.63 -87.47 -0.24 87.99 0.02 11.98 0.22 0.99 86.47 11.83 0.46 0.00 0.00 0.02 91 G C T 51.00 2.41 22.13 24.27 97.35 -102.42 89.68 10.43 99.89 0.01 0.10 0.84 1.15 97.95 0.03 0.02 0.00 0.00 0.00 92 L C C 13.61 23.78 10.18 33.45 118.48 138.54 -89.85 140.08 95.09 4.90 0.01 94.08 1.01 0.05 0.00 0.00 0.00 4.73 0.13 93 Q E E 106.84 3.64 25.60 29.32 112.05 -136.85 -95.04 121.91 26.76 73.21 0.03 26.14 0.62 0.05 0.01 0.02 0.00 72.59 0.57 94 V E E 22.03 23.80 11.80 35.02 113.02 -149.84 -90.68 122.21 2.49 97.50 0.01 2.57 0.04 0.00 0.00 0.00 0.00 97.21 0.17 95 K E E 110.80 4.81 22.40 27.84 100.01 177.01 -93.86 -31.18 3.44 96.56 0.01 2.40 0.68 0.03 0.00 0.01 0.00 96.86 0.02 96 S E E 42.15 8.01 23.89 32.63 141.07 -0.16 -156.24 152.02 1.00 99.00 0.00 0.74 0.08 0.01 0.00 0.00 0.00 99.16 0.01 97 I E E 29.48 23.39 14.72 37.38 123.17 -162.27 -127.28 127.42 0.37 99.63 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.01 98 V E E 60.07 8.29 24.74 33.46 127.59 -177.11 -129.26 139.94 0.64 99.35 0.00 0.61 0.02 0.00 0.00 0.00 0.00 99.34 0.03 99 D E E 52.59 17.65 16.15 32.80 113.60 -133.58 -88.73 125.37 7.80 92.19 0.01 7.32 0.31 0.02 0.00 0.00 0.00 92.17 0.18 100 D C C 68.57 9.81 18.88 29.26 102.93 178.01 -104.34 14.13 84.08 15.87 0.05 69.25 13.31 0.42 0.01 0.05 0.00 16.37 0.59 101 T C C 46.24 11.74 14.12 26.96 117.14 118.55 -87.61 136.82 92.93 7.01 0.06 64.74 28.23 0.55 0.01 0.06 0.00 5.17 1.22 102 P C C 88.67 5.89 17.34 24.29 99.64 -124.31 -71.36 -1.60 97.11 2.82 0.07 54.14 42.60 0.86 0.02 0.06 0.00 1.75 0.57 103 V C C 64.21 9.92 13.18 24.36 119.29 59.27 -104.64 132.75 95.42 4.47 0.12 56.49 38.95 0.49 0.04 0.08 0.00 2.05 1.90 104 P C C 75.01 6.98 15.25 23.60 113.48 -110.18 -65.93 145.45 95.14 4.02 0.85 87.37 5.39 2.35 0.18 0.70 0.00 2.45 1.57 105 H C C 92.03 11.89 11.61 23.74 116.45 -149.50 -102.98 128.53 86.50 8.61 4.89 57.11 16.22 12.05 0.98 4.27 0.00 3.59 5.78 106 N C T 115.78 3.85 15.60 20.48 98.45 -5.03 51.04 35.93 88.63 3.47 7.90 25.23 26.48 36.67 0.89 7.35 0.00 1.76 1.62 107 G C T 44.90 5.96 14.02 21.13 103.43 -65.11 83.88 -1.28 90.61 3.19 6.20 29.19 30.00 31.18 0.72 5.89 0.00 1.61 1.41 108 C C C 57.70 11.02 11.90 23.55 111.11 124.17 -89.96 120.63 89.65 7.87 2.49 60.09 23.67 5.29 0.65 1.94 0.00 3.19 5.16 109 R C C 123.75 7.16 13.88 22.50 120.02 -148.89 -101.63 136.43 94.90 4.71 0.40 74.38 20.05 0.63 0.18 0.21 0.00 2.28 2.27 110 P C C 74.14 7.00 12.80 21.37 115.92 -105.42 -65.98 150.93 96.60 2.09 1.31 90.62 4.47 1.65 0.44 0.73 0.00 1.16 0.94 111 K C C 139.91 4.04 12.15 18.13 112.47 -102.73 -69.99 143.78 93.58 2.64 3.78 79.67 8.72 4.97 1.17 2.61 0.00 1.31 1.56 112 K C C 138.75 4.50 9.75 16.30 113.69 -118.06 -85.86 137.24 91.34 3.86 4.79 68.47 16.89 5.69 1.48 3.43 0.00 2.14 1.90 113 K C C 147.80 2.61 10.23 14.70 115.83 -146.20 -94.26 136.59 89.57 5.54 4.89 72.37 12.62 4.35 1.61 3.40 0.00 3.59 2.06 114 F C C 147.64 3.90 8.47 14.34 114.29 -131.76 -89.07 133.79 87.74 8.26 4.00 75.70 8.11 3.66 1.54 2.47 0.00 5.48 3.05 115 R C C 155.94 3.62 8.17 13.74 116.30 -143.85 -96.03 135.55 87.31 9.16 3.53 70.50 11.56 4.91 1.44 2.07 0.00 6.04 3.47 116 K C C 158.37 1.76 8.51 11.95 112.84 -127.93 -86.98 132.77 89.10 7.80 3.09 68.46 13.87 6.43 1.14 1.98 0.00 5.35 2.77 117 A C C 84.92 2.87 7.34 12.15 108.63 -127.85 -81.00 135.02 94.49 3.79 1.72 88.14 2.72 4.05 0.60 0.78 0.00 2.63 1.09 118 S C C 89.85 1.85 10.44 13.53 109.43 -135.63 -89.95 110.65 99.88 0.08 0.04 99.31 0.30 0.31 0.01 0.01 0.00 0.04 0.01