# 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 S C C 64.41 6.96 14.38 22.47 116.98 -141.62 -89.48 147.46 99.92 0.04 0.04 99.80 0.10 0.05 0.02 0.00 0.00 0.01 0.01 1 K C C 129.80 5.73 13.05 20.29 107.71 -133.76 -82.08 97.15 74.57 1.10 24.34 64.08 1.68 8.97 20.11 4.00 0.00 0.48 0.68 2 S C T 63.47 5.72 14.89 21.71 105.46 69.95 -77.78 44.88 69.03 0.89 30.07 24.31 13.09 31.62 23.67 6.36 0.02 0.37 0.56 3 N H H 45.91 17.29 14.56 30.67 96.64 -3.67 -76.50 -15.90 49.55 0.57 49.89 22.15 8.56 19.30 44.38 5.03 0.02 0.22 0.36 4 K H H 73.99 14.85 16.66 31.01 92.43 81.15 -60.99 -41.62 6.18 0.04 93.78 3.34 1.11 1.62 93.21 0.70 0.00 0.01 0.01 5 P H H 71.72 4.35 22.43 26.76 91.67 51.77 -64.61 -39.29 2.47 0.04 97.50 1.25 0.28 0.91 97.02 0.52 0.00 0.02 0.01 6 I H H 41.56 13.62 21.07 34.73 91.79 49.91 -65.37 -42.22 0.90 0.03 99.07 0.40 0.11 0.38 98.77 0.33 0.00 0.02 0.00 7 I H H 4.85 25.18 19.52 44.58 91.65 49.18 -64.69 -43.15 0.59 0.02 99.39 0.22 0.06 0.26 99.29 0.15 0.00 0.01 0.00 8 H H H 66.68 14.15 23.52 36.87 91.07 50.59 -62.22 -42.19 0.56 0.01 99.43 0.16 0.05 0.28 99.39 0.11 0.00 0.01 0.00 9 A H H 42.34 6.01 26.06 32.71 91.36 50.24 -64.31 -41.53 0.90 0.01 99.08 0.18 0.07 0.55 98.98 0.21 0.00 0.01 0.00 10 A H H 5.64 21.02 21.33 42.30 91.33 50.26 -63.81 -42.80 1.77 0.02 98.21 0.26 0.12 1.22 97.91 0.47 0.00 0.01 0.00 11 I H H 4.44 25.58 20.25 45.59 91.47 49.44 -65.09 -40.35 3.66 0.04 96.30 0.48 0.29 2.71 95.16 1.31 0.01 0.02 0.01 12 S H H 52.73 11.06 24.05 34.79 91.55 52.97 -68.35 -31.62 14.25 0.06 85.68 0.82 0.81 12.59 83.89 1.79 0.04 0.02 0.03 13 H H H 87.01 9.75 24.27 34.12 98.79 42.86 -93.25 -16.32 36.19 0.24 63.57 2.02 2.96 30.82 61.08 2.75 0.12 0.10 0.15 14 C C H 13.15 21.71 20.12 40.56 112.70 62.08 -98.03 -0.43 50.60 9.70 39.71 17.64 13.65 21.77 29.61 7.09 1.22 5.05 3.96 15 C C T 17.38 21.39 21.06 40.91 98.70 57.53 -78.12 -17.60 56.43 14.88 28.69 17.74 12.70 27.49 17.05 10.29 1.04 9.13 4.55 16 L C T 43.04 16.81 20.36 36.28 100.53 59.21 -92.90 3.59 57.06 17.90 25.04 18.72 13.03 27.21 13.22 10.68 0.68 11.49 4.98 17 A C T 43.69 13.38 17.91 31.12 110.66 106.34 -77.89 126.45 69.07 12.31 18.62 17.02 19.08 33.97 9.18 8.74 0.31 7.99 3.71 18 G C T 42.60 6.09 18.89 25.61 112.54 12.50 84.02 -130.73 81.54 4.63 13.83 14.35 28.50 39.93 4.69 8.01 0.04 2.94 1.55 19 K C C 128.24 4.92 19.87 25.38 109.64 13.15 -90.43 89.38 69.91 9.15 20.94 35.83 19.17 15.80 7.00 13.29 0.09 5.04 3.78 20 V C T 33.67 19.63 12.55 30.74 101.71 95.75 -79.50 -21.12 72.40 7.49 20.12 23.76 19.92 30.20 6.15 12.67 0.13 4.08 3.08 21 N C C 67.83 10.90 15.87 27.09 102.07 33.12 -87.88 47.07 81.01 2.03 16.97 41.54 12.00 27.74 5.51 11.16 0.01 0.97 1.07 22 E H G 106.88 6.88 14.59 23.02 96.28 133.30 -63.64 -39.36 39.25 0.55 60.21 10.15 9.04 19.70 29.71 30.78 0.04 0.25 0.34 23 P H T 106.98 1.41 17.58 18.07 92.58 46.58 -66.81 -27.15 40.35 0.10 59.55 1.90 2.93 33.54 30.89 30.58 0.02 0.05 0.09 24 H H H 68.20 12.09 14.06 26.72 97.52 42.68 -95.85 -8.09 38.66 0.19 61.16 4.39 3.07 28.66 34.33 29.30 0.02 0.09 0.14 25 K H H 51.74 18.71 13.07 30.78 92.71 87.15 -59.37 -43.25 6.90 0.05 93.06 3.46 1.10 2.53 91.22 1.65 0.00 0.02 0.02 26 N H H 101.15 3.17 21.32 24.63 91.82 50.44 -64.56 -38.54 3.64 0.01 96.35 0.98 0.48 2.10 95.53 0.90 0.00 0.01 0.00 27 S H H 51.01 3.97 22.51 26.30 91.65 51.02 -64.95 -41.50 1.56 0.01 98.42 0.46 0.20 0.89 97.74 0.69 0.00 0.01 0.00 28 I H H 5.71 22.73 17.41 40.40 91.56 49.34 -63.91 -43.95 0.54 0.01 99.45 0.16 0.07 0.31 99.26 0.20 0.00 0.00 0.00 29 L H H 23.97 18.13 19.44 37.26 91.37 50.50 -62.81 -42.66 0.14 0.00 99.86 0.02 0.01 0.08 99.82 0.07 0.00 0.00 0.00 30 E H H 107.91 2.17 24.69 25.20 91.46 50.40 -63.45 -42.11 0.14 0.00 99.86 0.01 0.00 0.09 99.75 0.14 0.00 0.00 0.00 31 E H H 61.36 10.49 20.66 31.69 91.86 49.25 -65.20 -40.95 0.32 0.00 99.68 0.02 0.01 0.25 99.42 0.30 0.00 0.00 0.00 32 L H H 3.69 25.82 13.71 39.86 91.13 51.10 -64.58 -39.19 1.10 0.00 98.90 0.05 0.03 0.94 97.93 1.04 0.00 0.00 0.00 33 E H H 108.74 8.16 19.64 28.62 90.68 56.73 -65.71 -26.53 18.07 0.01 81.92 0.29 0.37 18.17 79.94 1.21 0.01 0.00 0.01 34 K C T 144.70 1.92 21.47 22.61 93.19 55.05 -83.97 -10.13 54.04 0.04 45.92 1.16 1.72 49.65 45.91 1.51 0.00 0.01 0.03 35 C C C 15.07 22.60 8.75 29.92 117.88 99.91 -81.08 143.97 95.31 1.19 3.50 68.32 23.07 3.62 2.94 0.68 0.00 0.37 0.99 36 D C C 118.18 1.59 22.84 23.47 99.26 -154.10 -96.93 13.32 97.65 1.61 0.73 88.76 6.37 2.55 0.24 0.38 0.00 0.83 0.87 37 A C C 19.24 19.40 12.86 31.68 123.43 110.16 -88.51 155.40 89.53 5.39 5.08 53.55 24.77 10.29 0.44 5.83 0.00 3.45 1.68 38 N C S 84.39 8.02 23.81 32.24 97.48 -138.98 -85.56 -21.68 93.40 4.21 2.39 5.57 66.42 21.15 0.06 2.55 0.00 3.96 0.28 39 H E E 31.68 17.29 22.43 39.39 133.53 26.37 -139.34 143.48 40.16 56.54 3.30 15.17 14.30 11.35 0.12 3.34 0.00 55.35 0.38 40 Y E E 10.51 23.60 24.07 46.91 132.70 -167.57 -135.35 147.81 2.60 97.39 0.01 2.32 0.17 0.02 0.00 0.01 0.00 97.37 0.10 41 I E E 4.24 24.20 27.28 50.88 119.80 -151.89 -114.56 127.78 0.21 99.79 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 42 I E E 3.53 24.67 27.68 51.86 117.66 -160.86 -109.89 124.64 0.09 99.91 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.90 0.00 43 L E E 6.16 23.25 26.29 48.89 118.21 -160.24 -105.94 127.06 0.36 99.64 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.01 44 F E E 14.14 20.94 23.33 43.77 127.63 -171.45 -120.05 144.42 3.75 96.24 0.01 3.42 0.20 0.01 0.00 0.00 0.00 96.19 0.17 45 R E E 78.77 14.46 20.38 34.35 123.67 -156.71 -113.80 137.53 35.90 64.02 0.08 29.33 5.64 0.34 0.01 0.07 0.00 64.04 0.56 46 D C C 44.60 12.69 14.61 27.94 125.87 -161.94 -110.61 154.87 79.43 20.33 0.24 71.22 6.57 0.80 0.05 0.21 0.00 19.02 2.13 47 A C T 86.54 3.13 14.45 18.93 104.88 -84.70 -59.87 125.27 96.47 0.70 2.83 1.96 11.27 82.70 0.09 3.32 0.00 0.46 0.21 48 G C T 65.24 0.72 15.42 14.42 96.68 15.43 83.13 -1.21 96.99 0.23 2.78 1.67 10.47 84.12 0.06 3.45 0.00 0.14 0.09 49 C C C 41.73 15.44 8.90 23.39 121.51 93.92 -109.72 140.45 89.33 7.11 3.56 43.95 35.98 8.91 0.31 4.20 0.00 4.58 2.06 50 Q C S 122.17 3.28 19.00 22.92 95.85 -151.42 -79.48 -21.74 87.80 11.72 0.48 36.98 47.99 3.39 0.07 0.45 0.00 9.96 1.15 51 F C C 45.98 15.95 16.69 32.79 127.20 43.19 -121.64 143.65 60.46 39.24 0.30 41.97 16.28 1.65 0.04 0.31 0.00 38.89 0.86 52 R E E 59.97 16.86 22.29 38.13 128.02 -166.66 -124.86 146.81 17.88 81.93 0.19 14.25 3.10 0.46 0.03 0.14 0.00 81.71 0.31 53 A E E 5.34 21.73 24.52 45.66 134.07 -162.53 -130.31 152.65 2.32 97.58 0.09 1.89 0.35 0.11 0.02 0.06 0.00 97.50 0.06 54 L E E 4.50 24.28 25.44 49.53 121.63 -141.65 -112.23 133.08 0.71 99.26 0.04 0.63 0.09 0.03 0.01 0.02 0.00 99.21 0.02 55 Y E E 10.43 22.89 26.19 48.14 129.36 -169.87 -122.89 146.17 0.29 99.70 0.01 0.28 0.01 0.00 0.00 0.01 0.00 99.68 0.01 56 C E E 6.20 21.95 25.48 46.79 129.59 -167.42 -127.20 145.17 0.59 99.41 0.01 0.52 0.02 0.00 0.00 0.00 0.00 99.44 0.02 57 Y E E 21.47 19.78 22.03 41.58 123.27 -154.34 -114.95 135.33 3.65 96.34 0.02 3.15 0.28 0.02 0.00 0.01 0.00 96.23 0.30 58 Y C C 37.65 13.02 20.24 34.63 110.65 -141.28 -95.50 115.89 61.69 38.23 0.08 58.18 2.00 0.22 0.01 0.06 0.00 38.89 0.63 59 P C T 52.63 13.25 15.41 29.41 93.44 -142.82 -63.23 -29.47 95.21 0.96 3.83 2.40 9.86 82.25 0.12 4.42 0.00 0.77 0.18 60 D C T 116.91 1.59 18.07 19.12 95.45 49.05 -83.07 -11.77 95.67 0.52 3.81 2.40 9.91 82.60 0.14 4.44 0.00 0.37 0.14 61 T C S 56.83 8.29 13.92 23.36 121.75 37.07 -123.42 151.22 91.31 4.08 4.61 29.25 37.76 23.82 0.30 5.19 0.00 2.72 0.96 62 E C S 118.34 8.86 15.69 25.41 96.54 -135.58 -59.88 16.63 96.32 3.03 0.64 20.59 50.26 25.28 0.05 0.70 0.00 2.82 0.30 63 E E E 91.26 5.88 21.52 28.24 122.34 111.39 -98.27 145.47 48.86 50.87 0.26 31.81 15.97 1.60 0.05 0.25 0.00 49.39 0.94 64 I E E 22.76 22.49 14.59 36.87 119.46 -146.25 -106.42 131.34 10.04 89.93 0.02 9.51 0.33 0.03 0.00 0.01 0.00 89.94 0.17 65 Y E E 63.09 12.59 23.37 36.08 125.46 -169.64 -120.45 139.07 0.46 99.53 0.01 0.39 0.02 0.00 0.00 0.00 0.00 99.56 0.01 66 K E E 79.75 16.07 20.36 35.33 117.27 -136.72 -98.39 132.89 0.25 99.75 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.75 0.01 67 L E E 26.61 19.05 18.69 37.19 118.30 -168.73 -106.98 132.83 4.68 95.29 0.02 4.24 0.19 0.02 0.01 0.01 0.00 95.43 0.11 68 T E E 60.33 11.56 21.95 33.36 129.64 -161.21 -126.17 148.12 27.53 72.34 0.14 22.39 4.02 0.55 0.02 0.10 0.00 72.43 0.49 69 G C C 24.89 11.60 20.95 32.58 135.77 72.18 140.27 -174.82 62.51 37.30 0.19 37.57 23.36 2.02 0.03 0.20 0.00 35.99 0.84 70 T C C 71.15 8.92 22.61 31.75 111.69 -82.10 -101.38 96.45 77.68 22.02 0.29 53.29 23.70 1.62 0.08 0.28 0.00 17.04 3.98 71 G C C 10.12 18.19 17.87 35.36 128.64 -132.79 -93.29 172.20 95.25 4.09 0.67 74.06 20.28 1.10 0.17 0.57 0.00 2.61 1.21 72 P H G 32.26 18.17 16.82 34.26 100.96 -64.12 -65.25 12.04 43.87 1.42 54.71 22.37 5.23 11.91 1.46 57.89 0.00 0.93 0.21 73 K H G 145.42 4.02 19.57 24.84 94.92 63.48 -69.64 -19.92 40.59 1.34 58.07 5.60 6.84 25.94 1.33 59.18 0.00 0.88 0.22 74 N H G 94.28 5.72 20.22 26.47 98.76 51.80 -96.02 4.36 35.61 2.98 61.41 8.64 6.87 20.35 1.97 59.47 0.01 2.30 0.39 75 I C C 11.04 24.39 9.25 32.74 115.60 105.81 -92.51 127.73 91.69 7.64 0.67 61.74 30.05 0.31 0.47 0.20 0.00 2.49 4.75 76 T C C 62.67 3.62 23.20 25.97 125.71 -150.81 -94.44 163.79 97.20 2.35 0.45 97.10 0.59 0.06 0.39 0.03 0.00 1.01 0.82 77 K H H 114.85 10.25 13.97 25.05 91.07 -107.89 -57.81 -37.85 1.57 0.01 98.42 0.26 0.21 0.96 97.56 1.00 0.00 0.00 0.00 78 K H H 139.51 1.36 19.54 19.55 91.38 54.82 -63.89 -39.48 0.89 0.01 99.11 0.13 0.07 0.60 97.99 1.20 0.00 0.00 0.00 79 M H H 38.87 12.51 16.25 29.82 92.13 49.37 -66.16 -40.77 0.50 0.01 99.49 0.10 0.04 0.31 98.10 1.44 0.00 0.01 0.00 80 I H H 8.54 23.60 12.64 35.92 91.64 51.46 -63.84 -42.08 0.75 0.01 99.24 0.13 0.06 0.48 98.33 1.00 0.00 0.01 0.00 81 D H H 83.95 6.16 19.02 26.20 91.18 53.81 -66.00 -29.97 7.51 0.04 92.45 0.40 0.33 6.55 90.19 2.47 0.02 0.02 0.01 82 K H H 127.06 3.35 21.40 24.62 93.70 52.53 -76.19 -25.48 21.91 0.06 78.03 0.57 0.81 20.71 75.17 2.65 0.04 0.03 0.03 83 L H H 22.42 19.00 16.35 35.02 99.71 43.30 -92.00 -25.92 34.42 0.69 64.89 2.26 3.40 28.36 62.02 3.11 0.19 0.37 0.29 84 Y E E 39.41 19.52 15.04 33.88 125.04 64.41 -112.55 140.57 31.80 62.26 5.94 20.32 9.24 4.34 5.49 2.02 0.11 50.17 8.31 85 K E E 99.14 6.95 19.89 27.70 124.36 -160.93 -111.50 142.73 25.68 73.18 1.15 21.72 2.68 0.99 0.78 0.53 0.00 69.11 4.20 86 Y E E 95.14 12.09 12.37 25.11 120.78 -136.29 -102.10 138.96 29.07 69.94 0.99 23.73 3.92 1.16 0.66 0.57 0.00 61.23 8.73 87 S C C 40.98 7.29 10.65 20.09 114.88 -141.96 -94.04 138.50 62.98 36.10 0.92 51.77 8.04 2.34 0.27 0.70 0.00 34.06 2.82 88 S C T 92.20 1.69 10.66 13.51 95.08 -145.93 -72.07 -24.87 91.08 3.94 4.99 9.14 32.09 50.22 0.43 4.33 0.00 3.14 0.65 89 D C T 124.40 0.63 11.25 10.88 96.83 50.63 -80.49 -18.02 93.37 0.82 5.81 5.55 27.28 60.47 0.45 5.40 0.00 0.52 0.32 90 R C T 132.31 5.30 9.64 16.19 101.61 33.95 -94.29 9.62 91.05 2.30 6.64 11.79 31.79 47.29 0.53 6.43 0.00 1.51 0.66 91 K C T 137.07 4.21 12.62 18.40 98.52 -136.22 -25.13 24.13 89.60 7.89 2.50 26.91 26.37 36.57 0.33 2.33 0.00 6.62 0.86 92 Q C E 93.50 4.42 17.21 22.87 130.73 94.77 -128.21 153.09 53.74 44.94 1.32 36.07 15.92 3.64 0.40 1.09 0.01 38.93 3.95 93 F E E 40.72 19.97 11.15 30.33 118.88 -125.92 -93.65 138.43 33.92 65.74 0.34 30.36 2.47 0.53 0.13 0.23 0.00 63.24 3.04 94 N E E 75.01 6.45 22.33 29.19 125.53 -165.62 -118.32 145.31 22.11 77.72 0.16 19.43 2.05 0.37 0.05 0.11 0.00 76.77 1.22 95 L E E 70.98 14.95 16.97 31.50 114.87 -115.92 -81.97 132.67 19.59 80.32 0.09 17.45 1.46 0.16 0.04 0.06 0.00 75.40 5.43 96 I E E 23.40 18.79 14.69 33.84 116.59 -149.62 -102.47 128.39 48.97 50.99 0.05 45.91 2.32 0.11 0.01 0.03 0.00 50.59 1.02 97 P C C 82.43 4.93 22.42 27.64 111.71 -116.93 -68.66 139.15 56.66 43.05 0.28 49.50 5.35 0.76 0.07 0.26 0.00 41.86 2.20 98 A C C 23.97 20.01 10.38 29.01 127.00 -163.13 -120.73 148.33 78.77 18.20 3.03 69.39 6.54 2.35 0.67 2.65 0.00 15.32 3.08 99 K C S 142.22 2.93 18.72 22.12 99.37 -155.06 -85.35 -25.37 82.07 14.13 3.80 24.53 48.12 9.58 0.90 2.71 0.00 13.00 1.17 100 T C E 75.05 6.28 17.94 25.22 128.25 8.82 -137.25 145.04 59.69 34.63 5.68 28.44 23.13 10.60 1.52 4.14 0.03 30.17 1.96 101 M C C 64.22 16.74 13.08 29.02 121.11 -165.72 -116.39 132.66 55.70 40.84 3.46 42.85 10.32 2.81 1.03 2.54 0.00 37.76 2.68 102 S C E 64.84 6.64 20.00 27.53 121.56 -158.97 -114.86 136.51 51.30 47.16 1.54 40.59 8.64 2.15 0.53 1.04 0.00 44.49 2.55 103 V E E 34.78 19.06 13.92 32.26 127.79 -171.89 -127.48 141.85 46.56 51.78 1.66 35.30 9.90 2.16 0.66 0.95 0.00 49.29 1.74 104 S E E 61.93 6.53 22.66 29.73 118.98 -141.79 -100.80 135.57 40.27 58.54 1.20 33.84 4.78 1.41 0.46 0.68 0.00 57.36 1.46 105 V E E 24.61 22.31 13.51 34.85 127.43 -171.03 -122.39 140.22 36.09 62.28 1.62 31.05 3.90 1.17 0.79 0.84 0.00 60.17 2.08 106 D E E 76.82 7.67 23.35 31.10 103.46 -161.42 -94.56 -16.56 40.60 57.36 2.03 29.09 10.05 2.23 0.73 1.08 0.00 55.98 0.82 107 A E E 27.90 15.28 21.41 36.32 130.00 -7.04 -125.29 147.18 33.59 63.11 3.30 25.24 7.04 2.09 1.20 1.63 0.00 62.05 0.76 108 L E E 19.62 21.91 18.77 40.09 123.75 -157.01 -117.09 136.44 22.07 75.03 2.90 19.31 2.19 0.81 1.57 1.04 0.00 74.18 0.90 109 T E E 41.57 12.77 24.50 37.25 122.71 -161.89 -116.11 135.13 16.49 81.77 1.74 14.51 1.62 0.59 1.20 0.61 0.00 80.04 1.43 110 I E E 23.41 20.89 17.24 37.73 116.91 -153.98 -103.96 126.36 26.56 71.41 2.02 23.51 2.58 0.79 1.41 0.83 0.00 68.16 2.72 111 H C C 71.20 11.06 18.92 30.49 116.44 -147.11 -92.47 137.69 64.67 27.84 7.49 50.40 9.61 4.25 2.72 4.40 0.01 26.91 1.71 112 N C G 84.95 9.24 17.83 27.36 99.20 -96.45 -69.47 30.88 56.54 4.17 39.29 21.09 15.91 21.83 6.77 30.54 0.02 2.88 0.94 113 H C G 97.98 8.63 18.03 27.00 98.68 60.33 -75.59 10.41 50.59 3.10 46.30 20.92 10.19 20.99 6.73 38.32 0.01 2.02 0.83 114 L C G 38.43 17.61 14.62 31.58 97.52 104.68 -77.73 -22.32 51.38 3.86 44.76 18.12 12.47 22.93 5.87 37.02 0.02 2.43 1.14 115 W C C 74.51 15.98 13.18 28.71 108.11 49.65 -105.11 73.36 63.17 7.92 28.91 31.04 13.62 20.11 4.77 23.00 0.05 4.35 3.07 116 Q C C 104.67 5.30 14.54 21.54 117.53 142.14 -96.19 134.00 97.80 2.12 0.08 94.70 3.07 0.25 0.03 0.04 0.00 1.28 0.63 117 P C C 86.64 6.80 13.84 22.19 112.81 -105.75 -66.40 146.09 99.94 0.05 0.01 99.88 0.07 0.02 0.00 0.00 0.00 0.02 0.01