# 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 131.28 3.07 11.53 16.19 116.69 -163.04 -100.42 131.33 99.90 0.09 0.01 99.86 0.06 0.02 0.00 0.00 0.00 0.05 0.01 1 I C C 113.34 4.64 7.87 14.47 116.81 -150.97 -97.40 129.30 95.00 3.96 1.03 93.61 0.61 1.46 0.44 0.28 0.00 2.33 1.27 2 T C C 98.53 2.59 9.51 14.00 117.78 -162.26 -102.00 138.98 93.55 5.08 1.38 80.65 9.95 2.90 0.62 0.70 0.00 3.06 2.11 3 K C C 142.80 3.01 9.32 14.41 116.33 -128.51 -93.41 134.53 96.38 1.89 1.72 80.57 14.46 1.48 1.24 0.50 0.00 0.98 0.77 4 P C C 77.23 6.13 8.83 16.74 112.85 -109.60 -68.13 151.09 90.06 1.03 8.90 76.19 7.05 6.62 7.03 2.07 0.00 0.54 0.50 5 D C C 93.98 3.32 11.13 15.87 108.80 -116.81 -80.38 124.07 85.70 0.78 13.53 73.27 5.82 6.04 11.88 2.20 0.00 0.33 0.46 6 K H H 137.84 3.46 10.93 15.91 96.11 -143.34 -68.21 -26.64 42.64 0.47 56.89 21.33 9.60 12.35 52.80 3.46 0.01 0.19 0.24 7 N H H 93.81 3.68 11.84 16.77 95.86 59.34 -71.89 -29.43 33.99 0.38 65.63 17.05 6.94 10.64 62.13 2.87 0.01 0.16 0.19 8 K H H 113.72 2.84 13.37 17.00 93.87 55.99 -67.90 -37.84 16.32 0.25 83.43 10.16 3.10 4.03 80.26 2.23 0.00 0.11 0.10 9 T H H 64.19 3.77 13.51 18.62 93.00 53.43 -65.39 -41.43 8.35 0.15 91.51 5.30 1.37 2.19 89.74 1.27 0.00 0.07 0.05 10 R H H 109.55 5.46 14.03 20.72 92.40 50.40 -65.30 -40.62 4.30 0.10 95.60 2.33 0.65 1.50 94.55 0.89 0.00 0.05 0.03 11 Q H H 92.27 3.79 15.34 20.02 92.12 50.71 -64.58 -41.22 3.16 0.07 96.78 1.52 0.44 1.23 96.10 0.66 0.00 0.03 0.02 12 K H H 112.75 2.11 17.06 18.76 92.08 49.84 -64.88 -41.41 2.83 0.04 97.13 1.14 0.37 1.26 96.66 0.54 0.00 0.02 0.01 13 R H H 110.22 4.72 16.47 22.17 92.11 49.93 -65.08 -41.04 2.98 0.04 96.98 1.03 0.36 1.45 96.63 0.50 0.00 0.02 0.01 14 H H H 72.12 9.40 14.72 25.31 92.15 50.63 -64.60 -40.89 3.31 0.03 96.66 1.12 0.38 1.64 96.32 0.51 0.00 0.01 0.01 15 R H H 131.75 2.96 17.58 20.82 91.85 50.98 -64.60 -40.44 3.22 0.04 96.74 1.03 0.38 1.65 96.29 0.62 0.00 0.02 0.01 16 R H H 129.45 2.21 18.26 19.93 92.16 50.20 -65.00 -40.76 3.99 0.06 95.95 1.30 0.49 2.10 95.17 0.88 0.01 0.03 0.02 17 V H H 44.39 10.22 15.22 26.76 92.63 49.48 -65.66 -41.38 5.00 0.08 94.91 1.66 0.66 2.66 93.69 1.25 0.01 0.04 0.02 18 R H H 102.24 10.76 15.24 26.49 92.19 53.04 -64.26 -38.88 6.60 0.09 93.31 1.87 0.83 3.89 90.83 2.49 0.01 0.04 0.03 19 N H H 109.19 2.19 17.97 20.09 92.64 52.65 -67.64 -31.63 14.58 0.11 85.31 2.44 1.53 10.36 79.87 5.65 0.04 0.06 0.05 20 K H H 127.33 3.61 17.57 21.69 94.92 52.93 -75.39 -26.67 26.10 0.26 73.64 4.08 3.00 18.99 67.55 6.03 0.08 0.13 0.14 21 I H H 44.29 16.80 11.95 27.97 100.16 55.98 -91.47 -5.04 43.82 1.30 54.88 13.16 7.62 24.96 48.17 4.67 0.14 0.56 0.74 22 S C T 67.08 6.86 14.55 22.91 111.35 117.24 -75.96 129.42 75.52 1.86 22.61 21.07 10.11 43.72 18.31 4.79 0.03 0.85 1.12 23 G C T 53.55 3.51 15.96 20.35 101.09 21.35 84.00 -5.42 86.93 0.84 12.22 17.82 18.90 50.86 6.20 5.31 0.00 0.41 0.50 24 T C C 73.14 7.32 14.21 22.55 107.41 87.35 -93.90 57.64 84.23 2.09 13.68 54.78 17.02 11.90 5.50 8.33 0.00 0.87 1.61 25 A C S 54.61 11.16 13.17 24.62 101.00 81.98 -75.97 -12.03 86.76 1.44 11.80 21.25 33.49 32.85 2.29 8.63 0.00 0.67 0.82 26 E C S 127.21 4.32 19.41 24.34 100.10 66.60 -82.88 -11.15 88.55 2.26 9.20 21.94 36.04 31.02 1.24 7.67 0.00 1.22 0.87 27 C C S 44.68 13.28 18.71 32.02 115.84 50.06 -114.64 112.83 96.39 3.33 0.28 43.72 52.58 0.72 0.05 0.21 0.00 2.13 0.59 28 P C C 14.25 21.01 17.75 38.88 116.37 -131.87 -69.23 147.80 91.28 8.66 0.07 88.58 2.53 0.22 0.01 0.04 0.00 8.28 0.34 29 R E E 69.85 13.78 26.16 39.69 123.92 -151.53 -116.59 139.40 8.71 91.27 0.01 8.27 0.42 0.02 0.00 0.01 0.00 90.40 0.88 30 L E E 6.46 25.86 19.82 45.90 120.85 -158.69 -113.27 130.92 1.51 98.49 0.00 1.42 0.04 0.00 0.00 0.00 0.00 98.51 0.03 31 N E E 33.99 13.41 27.48 41.16 122.40 -169.14 -119.07 132.94 0.39 99.61 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.62 0.00 32 I E E 13.90 23.93 19.74 43.38 120.19 -163.06 -114.62 126.55 0.22 99.78 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.79 0.00 33 F E E 58.43 11.46 25.48 37.19 128.27 -174.54 -125.75 141.09 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 34 R E E 91.00 15.59 18.41 33.24 119.34 -146.63 -106.61 129.07 2.85 97.15 0.00 2.56 0.12 0.01 0.00 0.00 0.00 97.23 0.07 35 S C C 30.83 9.50 17.24 27.93 131.16 169.94 -123.92 -175.32 74.83 25.14 0.03 72.54 1.15 0.09 0.00 0.02 0.00 25.86 0.34 36 N C S 115.69 4.09 16.63 21.74 92.17 -90.49 -65.66 -26.57 99.64 0.23 0.13 1.84 74.12 23.75 0.01 0.10 0.00 0.15 0.04 37 K C S 125.79 4.41 17.20 22.27 103.72 25.40 -108.60 -17.42 99.58 0.29 0.14 1.39 76.08 22.19 0.01 0.10 0.00 0.19 0.04 38 N E E 44.98 10.48 19.91 31.18 142.22 8.92 -155.36 159.52 33.77 66.20 0.03 26.65 5.71 0.22 0.00 0.03 0.00 67.07 0.33 39 I E E 9.32 23.22 16.87 40.75 119.75 -131.96 -112.79 130.14 0.90 99.10 0.00 0.85 0.02 0.00 0.00 0.00 0.00 99.11 0.02 40 Y E E 42.74 12.80 26.54 39.95 125.06 -169.78 -119.87 137.48 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 41 A E E 2.35 26.02 19.89 46.43 127.58 -169.86 -126.45 141.24 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 42 Q E E 34.33 14.75 28.33 43.26 125.02 -168.29 -124.13 135.30 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 43 V E E 4.19 24.64 22.49 47.40 118.57 -154.74 -107.44 127.23 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 44 I E E 22.41 15.27 23.07 39.07 123.30 -168.69 -119.29 133.07 0.31 99.69 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.67 0.04 45 D E E 28.39 13.16 18.92 33.49 108.22 -128.95 -82.09 116.31 14.93 85.06 0.01 14.25 0.32 0.03 0.00 0.01 0.00 85.08 0.30 46 D C T 62.18 12.71 15.70 29.14 93.86 -158.65 -70.23 -24.32 98.95 0.18 0.88 0.37 3.13 95.73 0.04 0.59 0.00 0.11 0.04 47 V C T 100.69 3.70 16.78 21.31 97.66 48.97 -76.65 -40.52 98.99 0.09 0.91 0.25 2.52 96.46 0.03 0.67 0.00 0.05 0.03 48 A C T 65.64 3.60 15.18 19.49 97.54 26.18 -94.31 -15.19 99.33 0.05 0.62 0.37 1.95 97.17 0.03 0.45 0.00 0.02 0.01 49 G C C 43.75 6.46 14.16 22.28 95.37 -123.39 74.29 12.22 99.08 0.52 0.40 48.31 5.67 45.15 0.09 0.25 0.00 0.42 0.10 50 V C C 66.46 7.33 18.09 26.76 118.17 140.47 -91.93 137.60 54.64 45.29 0.07 49.43 4.63 0.21 0.02 0.05 0.00 41.82 3.83 51 T E E 55.09 15.04 17.74 32.47 111.15 -123.36 -79.40 123.53 0.78 99.22 0.00 0.76 0.03 0.00 0.00 0.00 0.00 98.92 0.29 52 L E E 32.37 17.21 21.01 38.06 100.14 176.80 -94.36 -30.23 2.40 97.60 0.00 1.04 1.26 0.02 0.00 0.00 0.00 97.68 0.01 53 A E E 7.08 20.77 21.43 42.50 143.61 -1.47 -159.01 153.32 0.35 99.65 0.00 0.25 0.03 0.00 0.00 0.00 0.00 99.72 0.00 54 S E E 37.53 17.25 24.38 40.38 137.39 -172.73 -145.13 149.24 0.42 99.58 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.01 55 A E E 8.89 22.91 20.69 42.97 134.80 -172.74 -139.62 148.93 0.84 99.16 0.00 0.80 0.03 0.00 0.00 0.00 0.00 99.14 0.03 56 S E E 33.20 13.94 24.99 38.66 136.33 -176.25 -139.48 153.67 8.02 91.95 0.03 7.21 0.62 0.06 0.01 0.02 0.00 91.69 0.40 57 A C C 20.58 20.02 17.59 36.63 110.67 -137.27 -95.63 124.99 68.06 29.97 1.97 35.33 28.33 5.07 0.39 1.43 0.00 28.32 1.14 58 L C C 84.47 9.65 21.00 30.47 99.87 -147.32 -88.20 4.29 86.69 6.49 6.82 38.31 36.38 13.05 1.87 4.53 0.00 4.23 1.62 59 D C C 56.78 12.23 14.68 27.37 112.59 111.99 -84.56 127.33 75.39 1.91 22.70 46.90 15.87 12.27 6.21 16.87 0.00 1.01 0.88 60 K C G 148.55 3.78 16.35 21.76 94.71 -152.00 -69.52 -21.46 58.11 0.84 41.05 15.68 12.41 30.16 8.13 32.72 0.01 0.43 0.47 61 E C G 122.00 4.21 19.16 24.08 95.22 64.13 -78.38 -15.05 58.20 1.61 40.19 21.50 9.87 27.18 8.30 31.55 0.01 0.89 0.70 62 I C C 22.59 21.97 10.74 31.35 103.00 67.62 -89.51 21.73 72.39 3.13 24.49 49.77 13.96 8.58 8.72 15.83 0.00 1.41 1.73 63 S C C 64.25 8.03 16.67 25.60 115.10 102.54 -99.36 128.57 95.26 1.18 3.56 84.72 5.81 4.94 1.90 1.38 0.00 0.63 0.63 64 G C C 49.97 4.13 16.02 21.31 120.70 76.93 91.52 167.59 97.57 0.90 1.53 74.25 16.29 7.05 0.63 0.80 0.00 0.42 0.56 65 G C C 45.97 4.15 15.77 21.06 122.60 34.14 110.99 -174.36 96.52 1.13 2.35 55.03 32.89 8.71 1.12 1.12 0.00 0.45 0.68 66 T C C 86.46 6.08 16.16 23.25 114.91 -50.07 -91.65 138.34 93.56 1.67 4.76 65.27 21.88 6.29 3.27 1.51 0.00 0.65 1.14 67 K C H 99.90 10.18 17.64 27.89 107.83 -118.63 -79.06 133.17 52.26 1.33 46.41 29.08 18.43 5.18 44.63 1.51 0.01 0.37 0.78 68 T H H 53.58 15.38 17.29 31.60 94.37 56.26 -63.78 -39.02 10.88 0.12 88.99 4.81 2.47 3.77 87.86 0.98 0.01 0.05 0.05 69 E H H 108.49 4.16 24.53 28.83 92.21 51.79 -65.00 -40.13 4.50 0.07 95.43 2.37 0.55 1.54 94.72 0.76 0.00 0.03 0.02 70 T H H 27.48 14.70 22.14 36.74 91.82 50.68 -64.75 -41.72 1.41 0.02 98.57 0.70 0.15 0.51 98.22 0.41 0.00 0.01 0.00 71 A H H 2.62 25.32 20.62 45.79 91.36 51.11 -63.87 -42.55 0.55 0.00 99.45 0.15 0.05 0.27 99.31 0.22 0.00 0.00 0.00 72 A H H 30.76 13.73 26.73 40.29 91.48 50.74 -63.89 -42.15 0.51 0.00 99.48 0.10 0.04 0.30 99.41 0.15 0.00 0.00 0.00 73 A H H 35.29 7.66 29.54 38.98 91.43 50.44 -63.97 -42.16 0.57 0.00 99.43 0.08 0.03 0.38 99.41 0.10 0.00 0.00 0.00 74 V H H 2.27 25.38 25.76 50.66 91.69 49.72 -63.99 -44.02 0.22 0.00 99.78 0.03 0.01 0.13 99.79 0.03 0.00 0.00 0.00 75 G H H 1.04 26.52 24.42 50.76 91.28 51.36 -63.02 -43.16 0.15 0.00 99.85 0.01 0.01 0.09 99.86 0.02 0.00 0.00 0.00 76 K H H 86.80 9.74 29.37 40.14 91.44 50.43 -63.73 -41.67 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 77 L H H 37.42 11.20 28.71 41.28 91.47 49.97 -63.90 -42.68 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 78 V H H 1.13 26.91 25.22 52.02 91.54 49.24 -64.43 -43.92 0.05 0.00 99.95 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 79 A H H 3.59 24.04 23.01 46.56 91.01 51.13 -62.95 -43.19 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 80 E H H 93.26 4.63 28.75 34.00 91.17 49.99 -63.55 -42.08 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 81 R H H 63.41 10.78 25.08 36.23 91.69 49.10 -64.65 -41.48 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 82 A H H 1.40 25.76 15.50 42.16 90.98 50.61 -63.20 -43.14 0.22 0.00 99.78 0.01 0.01 0.16 99.76 0.05 0.00 0.00 0.00 83 A H H 46.57 12.57 18.88 31.29 91.38 50.96 -62.66 -41.05 0.69 0.00 99.31 0.03 0.02 0.59 99.10 0.26 0.00 0.00 0.00 84 E H H 145.89 1.32 20.90 21.16 90.02 53.53 -65.21 -27.83 5.83 0.00 94.17 0.07 0.10 6.00 93.46 0.38 0.00 0.00 0.00 85 K C T 95.80 9.46 15.64 26.06 93.11 52.30 -88.14 1.23 77.94 0.01 22.05 0.21 0.65 77.07 21.49 0.56 0.00 0.00 0.01 86 G C T 47.60 3.13 22.65 25.71 96.46 -104.49 84.96 14.61 99.90 0.00 0.10 0.71 0.57 98.67 0.03 0.01 0.00 0.00 0.00 87 I C C 12.31 23.92 10.44 34.17 112.55 153.02 -80.78 125.81 90.38 9.57 0.06 90.95 0.36 0.05 0.01 0.02 0.00 8.14 0.45 88 K C C 118.98 5.24 23.81 30.08 101.08 174.33 -104.17 -18.62 82.00 17.95 0.06 68.40 11.76 0.28 0.01 0.05 0.00 19.22 0.29 89 K E E 79.10 10.16 25.43 36.39 130.84 37.24 -136.31 139.75 9.93 90.01 0.06 8.36 1.20 0.10 0.01 0.03 0.00 90.09 0.19 90 V E E 3.16 26.59 18.66 46.02 124.77 -168.24 -126.37 134.14 1.04 98.95 0.01 1.00 0.04 0.00 0.00 0.00 0.00 98.90 0.05 91 V E E 22.25 16.15 27.95 44.10 119.13 -162.97 -113.60 127.05 1.31 98.68 0.01 1.28 0.04 0.00 0.00 0.00 0.00 98.59 0.08 92 F E E 9.41 24.44 21.05 45.21 121.94 -167.27 -111.06 132.27 13.16 86.81 0.03 12.71 0.32 0.03 0.01 0.01 0.00 86.68 0.24 93 D C C 44.11 13.81 24.19 37.69 110.06 -143.60 -97.16 112.17 54.98 44.84 0.18 47.78 4.77 0.56 0.04 0.15 0.00 46.09 0.62 94 R C C 53.81 17.79 16.44 33.74 100.97 174.74 -98.81 6.74 85.46 12.31 2.22 70.40 9.42 5.08 0.51 1.92 0.00 10.29 2.38 95 G C T 42.15 7.96 16.98 25.70 102.76 -145.79 54.09 27.43 87.42 5.99 6.58 32.75 22.25 32.99 0.88 5.80 0.01 3.37 1.95 96 G C T 51.66 4.62 16.51 21.90 99.50 -33.10 83.29 -0.12 88.19 2.23 9.58 12.56 34.70 41.20 1.02 8.32 0.01 1.18 1.02 97 Y C S 123.41 8.39 13.78 23.23 115.31 99.99 -93.82 133.64 83.26 5.81 10.93 31.15 33.31 19.27 2.04 8.48 0.02 2.81 2.91 98 L C C 93.64 7.19 17.10 25.13 112.93 -112.62 -90.75 133.44 85.32 6.70 7.98 45.40 24.75 15.60 2.12 5.75 0.01 3.53 2.84 99 Y C C 89.52 15.86 12.63 27.81 113.17 -121.68 -93.56 121.72 87.84 5.01 7.15 62.57 14.68 10.31 2.84 4.32 0.00 2.69 2.60 100 H C C 96.71 6.90 17.40 25.62 127.97 168.07 -134.35 147.91 90.18 2.17 7.65 70.29 15.33 3.77 7.08 1.30 0.00 0.81 1.42 101 G H H 40.19 4.83 20.66 26.03 113.03 -19.65 64.74 -135.24 27.00 0.23 72.78 5.68 12.50 9.50 70.88 1.20 0.04 0.06 0.14 102 R H H 71.36 16.98 20.28 36.11 92.90 -0.96 -67.52 -35.15 5.83 0.06 94.12 1.28 1.06 3.45 93.38 0.77 0.01 0.02 0.02 103 V H H 4.91 25.26 18.99 44.01 91.80 53.51 -64.26 -41.62 1.79 0.04 98.17 0.56 0.22 0.91 97.83 0.44 0.00 0.02 0.01 104 Q H H 75.77 10.30 25.92 36.31 91.59 52.15 -63.29 -41.55 0.51 0.01 99.48 0.15 0.05 0.24 99.40 0.16 0.00 0.00 0.00 105 A H H 23.49 9.88 25.85 37.03 91.60 51.02 -63.93 -42.19 0.23 0.00 99.77 0.04 0.01 0.12 99.75 0.07 0.00 0.00 0.00 106 L H H 3.21 25.55 23.92 48.92 91.85 49.82 -64.30 -43.07 0.15 0.00 99.85 0.02 0.01 0.09 99.86 0.03 0.00 0.00 0.00 107 A H H 6.08 21.80 23.23 44.50 91.20 50.35 -62.42 -43.01 0.16 0.00 99.84 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 108 E H H 92.80 4.20 28.66 33.20 91.30 50.03 -63.41 -42.00 0.25 0.00 99.75 0.03 0.01 0.14 99.78 0.03 0.00 0.00 0.00 109 A H H 11.89 13.57 22.36 37.17 91.42 50.55 -63.26 -43.12 0.29 0.00 99.71 0.04 0.02 0.18 99.70 0.06 0.00 0.00 0.00 110 A H H 2.13 25.20 16.07 41.89 91.09 50.42 -63.30 -42.89 0.56 0.00 99.44 0.09 0.04 0.36 99.35 0.16 0.00 0.00 0.00 111 R H H 120.15 9.10 19.99 29.58 91.47 50.18 -63.20 -41.19 1.70 0.01 98.28 0.29 0.15 1.20 97.93 0.42 0.00 0.01 0.01 112 E H H 136.73 2.18 20.38 22.48 90.45 53.12 -64.86 -28.89 7.69 0.01 92.29 0.25 0.28 7.20 91.79 0.45 0.01 0.00 0.01 113 N C T 60.20 11.80 14.47 27.20 93.76 51.16 -90.07 2.94 81.43 0.03 18.55 0.42 1.01 78.74 19.27 0.53 0.00 0.01 0.02 114 G C T 49.89 2.79 20.92 23.73 97.63 -99.54 87.76 9.27 99.62 0.04 0.34 1.96 1.42 96.39 0.13 0.06 0.00 0.02 0.01 115 L C C 17.41 22.55 9.30 30.98 117.23 140.78 -84.82 138.55 96.09 3.71 0.20 94.46 1.59 0.41 0.07 0.09 0.00 2.76 0.63 116 E C C 130.52 2.77 22.64 25.60 114.02 -139.87 -93.78 128.51 70.60 29.08 0.32 70.97 0.68 0.59 0.14 0.13 0.00 20.18 7.31 117 F C C 45.87 21.98 13.75 34.36 116.81 -157.51 -101.11 129.83 96.56 3.43 0.01 97.32 0.09 0.01 0.00 0.00 0.00 2.42 0.17