# 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 103.95 8.07 13.72 22.60 112.83 -155.22 -90.73 127.21 99.92 0.06 0.02 99.86 0.07 0.03 0.01 0.00 0.00 0.02 0.01 1 V C C 93.07 5.96 10.68 18.11 112.89 -145.03 -88.05 129.13 85.89 3.12 11.00 80.89 1.19 4.87 7.83 2.10 0.00 1.69 1.45 2 A C C 68.56 5.32 10.11 17.02 113.23 -129.13 -85.26 137.06 81.61 3.48 14.91 62.14 10.59 8.73 10.81 4.32 0.00 1.98 1.42 3 A C C 67.28 5.93 10.28 17.73 110.88 -118.88 -80.98 139.80 76.25 3.28 20.47 56.29 12.22 7.38 15.72 5.31 0.00 1.84 1.24 4 K C C 133.36 4.14 11.80 17.60 109.53 -130.69 -84.46 127.03 71.09 3.23 25.68 51.88 11.95 6.73 21.92 4.59 0.01 1.79 1.14 5 K C C 125.84 5.35 12.00 18.92 110.41 -130.86 -84.57 124.19 69.69 3.16 27.15 53.92 8.63 6.25 24.49 3.85 0.00 1.79 1.07 6 T C C 70.33 8.54 11.63 21.19 111.69 -145.75 -93.47 125.33 71.10 2.24 26.66 55.96 7.54 6.18 25.17 3.15 0.00 1.21 0.78 7 K C C 123.76 6.24 13.70 21.16 104.78 -144.46 -82.39 30.01 63.01 1.55 35.45 46.99 8.43 6.39 33.72 3.14 0.00 0.76 0.57 8 K C H 119.27 5.15 15.42 21.57 103.19 95.54 -78.38 -22.22 53.03 1.04 45.93 36.71 8.53 7.28 43.48 3.13 0.00 0.50 0.37 9 S H H 47.38 9.15 16.20 26.10 104.93 43.20 -77.27 -10.83 48.53 0.88 50.59 36.03 5.59 6.73 47.93 2.97 0.00 0.42 0.33 10 L H H 50.69 16.84 14.45 30.28 95.57 -1.63 -68.45 -34.68 21.91 0.40 77.69 15.13 3.52 4.37 74.19 2.46 0.00 0.18 0.15 11 E H H 109.05 4.49 19.94 24.85 92.86 58.67 -64.86 -39.97 13.71 0.28 86.01 8.45 2.23 3.50 83.82 1.76 0.00 0.13 0.10 12 S H H 49.38 5.88 20.92 27.20 92.79 50.54 -66.61 -40.21 13.20 0.39 86.42 8.38 1.89 3.67 83.92 1.81 0.00 0.20 0.14 13 I H H 10.77 22.23 16.73 38.67 92.51 49.97 -65.12 -43.28 6.31 0.14 93.55 3.27 1.04 2.34 92.15 1.06 0.01 0.07 0.06 14 N H H 49.53 15.34 20.00 34.65 91.64 51.35 -62.57 -41.89 5.00 0.08 94.92 2.32 0.73 2.02 94.17 0.69 0.01 0.04 0.04 15 S H H 61.97 2.52 24.46 25.57 91.74 50.28 -64.84 -40.98 5.13 0.05 94.81 1.80 0.70 2.52 94.32 0.59 0.01 0.02 0.03 16 R H H 71.00 12.65 21.63 34.07 91.98 49.62 -65.59 -40.95 2.29 0.02 97.69 0.76 0.28 1.18 97.46 0.29 0.00 0.01 0.01 17 L H H 2.93 26.28 16.28 43.01 91.31 51.25 -63.52 -42.18 0.77 0.00 99.22 0.24 0.08 0.37 99.19 0.11 0.00 0.00 0.00 18 Q H H 86.39 7.97 22.58 30.96 91.18 52.73 -62.19 -41.27 0.48 0.00 99.52 0.14 0.04 0.23 99.50 0.08 0.00 0.00 0.00 19 L H H 78.72 3.59 23.40 26.51 91.61 50.58 -64.17 -42.02 0.46 0.01 99.53 0.11 0.04 0.26 99.48 0.11 0.00 0.00 0.00 20 V H H 11.33 18.53 16.33 35.43 92.17 49.59 -64.61 -42.50 0.68 0.03 99.29 0.16 0.06 0.40 99.16 0.20 0.01 0.01 0.00 21 M H H 49.06 17.68 15.27 32.13 92.06 50.55 -64.41 -40.37 1.56 0.03 98.41 0.26 0.11 1.07 97.95 0.58 0.01 0.02 0.00 22 K H H 155.39 1.52 19.38 20.46 91.18 52.70 -66.53 -30.64 7.33 0.03 92.63 0.40 0.36 6.46 92.09 0.64 0.02 0.01 0.01 23 S C H 64.74 4.75 16.89 22.52 93.11 50.55 -84.02 -10.01 52.39 0.07 47.54 0.82 2.27 47.78 48.04 1.00 0.02 0.02 0.06 24 G C T 35.99 10.15 16.59 27.18 97.26 -109.52 85.76 7.88 99.64 0.15 0.22 3.85 17.31 78.56 0.05 0.10 0.00 0.10 0.03 25 K C C 92.69 10.63 20.90 31.37 99.49 115.09 -94.89 8.51 88.37 11.47 0.16 53.55 32.75 1.34 0.02 0.17 0.00 11.79 0.38 26 Y E E 31.77 21.62 17.41 38.29 129.60 70.46 -125.49 142.97 13.42 86.41 0.17 10.86 2.78 0.30 0.06 0.13 0.00 84.43 1.44 27 V E E 22.11 17.17 23.51 40.56 121.74 -159.95 -117.74 132.93 6.65 93.33 0.03 6.90 0.18 0.01 0.02 0.01 0.00 91.36 1.52 28 L E E 46.93 17.13 23.43 39.45 119.78 -155.22 -109.01 131.31 26.98 73.00 0.02 24.00 1.99 0.05 0.01 0.01 0.00 73.33 0.61 29 G C S 14.49 11.20 25.35 37.57 125.83 21.16 99.20 163.71 94.22 2.75 3.03 16.37 75.91 1.83 3.66 0.23 0.00 1.25 0.75 30 Y H H 45.46 21.39 17.02 37.46 91.99 -91.34 -60.98 -39.41 1.45 0.00 98.54 0.12 0.25 0.92 98.53 0.18 0.00 0.00 0.00 31 K H H 129.39 3.96 23.93 28.56 91.40 52.26 -62.91 -41.61 0.52 0.00 99.48 0.03 0.03 0.38 99.39 0.16 0.00 0.00 0.00 32 Q H H 71.42 8.08 23.44 31.80 91.80 47.99 -65.82 -40.54 0.13 0.00 99.87 0.01 0.01 0.08 99.78 0.12 0.00 0.00 0.00 33 T H H 1.54 26.78 16.98 44.55 91.15 50.46 -63.46 -43.55 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.02 0.00 0.00 0.00 34 L H H 25.77 18.35 21.77 39.47 91.20 50.11 -63.11 -42.57 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 35 K H H 107.69 2.82 26.31 28.14 91.58 50.76 -63.81 -41.99 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 36 M H H 22.03 14.31 20.10 35.35 91.43 49.68 -64.19 -42.47 0.06 0.00 99.94 0.00 0.00 0.05 99.92 0.03 0.00 0.00 0.00 37 I H H 4.63 25.24 15.13 40.57 91.36 49.23 -63.62 -43.09 0.17 0.00 99.83 0.01 0.00 0.15 99.72 0.12 0.00 0.00 0.00 38 R H H 125.30 8.64 19.57 28.88 91.06 51.49 -64.12 -34.19 1.86 0.00 98.14 0.02 0.03 1.95 97.84 0.16 0.00 0.00 0.00 39 Q C T 114.75 2.73 20.17 22.58 91.93 52.70 -83.66 -6.70 74.54 0.01 25.46 0.13 0.62 73.56 25.32 0.35 0.00 0.00 0.01 40 G C T 37.08 11.28 15.75 27.38 94.94 -114.16 79.87 11.47 99.79 0.00 0.20 0.45 1.56 97.88 0.08 0.03 0.00 0.00 0.00 41 K C S 106.03 6.62 22.00 29.39 94.89 122.29 -82.56 -16.74 99.72 0.23 0.05 40.58 57.89 1.28 0.01 0.04 0.00 0.08 0.11 42 A C C 3.86 25.51 13.25 38.90 120.68 68.38 -103.84 137.89 93.54 6.41 0.05 81.75 11.09 0.49 0.00 0.07 0.00 6.23 0.36 43 K C S 88.03 9.90 26.70 37.66 99.94 -170.79 -94.19 -29.10 92.58 7.41 0.01 16.01 76.24 0.24 0.00 0.01 0.00 7.40 0.10 44 L E E 10.86 21.11 26.67 47.07 134.92 15.26 -144.39 142.87 3.13 96.86 0.01 2.28 0.79 0.04 0.00 0.01 0.00 96.80 0.08 45 V E E 1.12 27.24 26.66 53.92 120.43 -162.06 -117.49 127.43 0.23 99.77 0.00 0.20 0.01 0.00 0.00 0.00 0.00 99.79 0.00 46 I E E 2.46 25.47 29.24 53.97 117.12 -163.86 -111.22 123.57 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 47 L E E 5.62 24.18 27.06 50.06 124.87 -168.41 -112.44 141.06 0.43 99.57 0.00 0.42 0.00 0.00 0.00 0.00 0.00 99.56 0.02 48 A E E 4.73 22.30 20.81 43.45 114.88 -118.13 -75.46 144.39 30.69 69.28 0.02 30.05 0.70 0.06 0.00 0.02 0.00 68.75 0.42 49 N C T 69.55 11.56 22.27 34.10 93.33 -123.58 -66.12 -23.37 91.91 7.59 0.50 3.31 21.29 68.11 0.02 0.53 0.00 6.32 0.41 50 N C T 93.63 5.78 22.48 29.11 94.84 57.83 -91.00 6.58 97.94 1.72 0.35 5.41 28.10 64.49 0.02 0.42 0.00 1.36 0.20 51 C C S 11.41 23.19 9.18 31.37 118.55 117.51 -76.76 145.99 97.76 2.03 0.21 38.84 58.77 0.41 0.08 0.08 0.00 0.65 1.17 52 P C C 60.99 4.52 18.35 23.68 113.97 -101.97 -63.43 148.32 99.48 0.29 0.22 98.86 0.57 0.17 0.11 0.03 0.00 0.08 0.17 53 A H H 80.28 3.87 13.62 19.48 91.80 -112.03 -57.69 -37.02 18.09 0.06 81.85 1.67 1.85 12.70 59.34 24.35 0.03 0.03 0.04 54 L H H 122.98 1.49 16.90 17.92 91.20 56.50 -65.69 -30.74 15.63 0.06 84.31 1.01 1.27 11.75 62.10 23.76 0.04 0.03 0.04 55 R H H 66.93 14.71 14.16 28.71 95.09 47.12 -82.33 -20.04 11.96 0.09 87.95 1.69 1.13 7.67 63.70 25.70 0.02 0.06 0.03 56 K H H 63.23 17.52 14.41 30.92 92.16 71.58 -60.28 -42.91 3.72 0.03 96.25 1.28 0.56 1.66 94.80 1.68 0.00 0.01 0.01 57 S H H 65.87 2.19 22.97 23.71 91.72 51.68 -63.98 -40.51 3.14 0.01 96.85 0.56 0.27 2.00 95.52 1.63 0.00 0.00 0.00 58 E H H 76.28 7.96 22.20 30.53 91.71 50.09 -64.89 -41.17 1.55 0.01 98.44 0.38 0.14 0.90 97.73 0.84 0.00 0.01 0.00 59 I H H 2.45 26.46 15.96 43.04 91.32 49.84 -64.54 -42.77 0.31 0.00 99.68 0.08 0.03 0.14 99.66 0.09 0.00 0.00 0.00 60 E H H 76.16 12.80 21.96 34.12 91.39 52.02 -62.04 -42.25 0.11 0.00 99.89 0.02 0.00 0.05 99.90 0.03 0.00 0.00 0.00 61 Y H H 125.48 2.47 25.30 26.25 91.56 49.51 -63.72 -42.52 0.09 0.00 99.91 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 62 Y H H 38.52 15.09 20.91 36.19 92.11 48.75 -64.72 -42.42 0.09 0.00 99.91 0.00 0.00 0.06 99.88 0.05 0.00 0.00 0.00 63 A H H 4.09 23.17 15.02 38.47 91.42 50.57 -63.47 -42.45 0.26 0.00 99.74 0.02 0.01 0.20 99.62 0.15 0.00 0.00 0.00 64 M H H 110.72 4.32 20.97 25.97 91.60 49.89 -64.23 -40.43 1.23 0.00 98.76 0.04 0.04 1.14 98.39 0.39 0.00 0.00 0.00 65 L H H 97.95 4.85 20.02 25.29 91.64 51.19 -66.48 -34.44 4.93 0.00 95.07 0.12 0.18 4.59 94.79 0.32 0.00 0.00 0.00 66 A H H 24.12 16.20 14.48 31.00 94.26 48.48 -84.49 -6.97 46.62 0.12 53.25 1.99 4.20 38.17 54.68 0.81 0.02 0.03 0.09 67 K C T 158.46 2.11 20.95 23.34 94.51 -125.26 58.71 38.03 98.74 0.09 1.17 7.42 9.20 82.22 0.83 0.24 0.00 0.05 0.03 68 T C C 26.12 18.63 14.54 32.76 126.97 127.73 -120.21 153.12 96.20 3.64 0.17 68.39 25.88 1.84 0.04 0.13 0.00 3.44 0.28 69 G C C 26.32 8.65 25.01 34.15 118.08 -112.90 -80.22 148.75 56.58 43.32 0.11 49.21 4.56 0.64 0.02 0.10 0.00 45.00 0.47 70 V E E 25.77 23.30 15.99 38.65 123.32 -152.25 -118.02 132.01 10.89 89.09 0.02 10.23 0.52 0.02 0.00 0.01 0.00 88.63 0.58 71 H E E 56.22 13.47 24.22 37.42 121.38 -165.78 -112.83 132.30 1.95 98.05 0.00 1.77 0.07 0.00 0.00 0.00 0.00 98.05 0.09 72 H E E 84.89 14.46 21.91 35.49 118.03 -149.65 -100.29 129.65 3.06 96.93 0.01 2.89 0.10 0.01 0.00 0.00 0.00 96.84 0.15 73 Y E E 39.37 19.34 15.01 33.92 125.69 -172.46 -119.26 140.22 25.59 74.34 0.07 24.52 0.82 0.09 0.02 0.04 0.00 73.73 0.78 74 S C C 77.66 4.32 21.14 26.12 105.80 -160.12 -104.45 40.84 71.67 28.14 0.19 46.21 22.45 2.17 0.03 0.18 0.00 28.37 0.60 75 G C S 29.45 8.32 19.36 28.29 136.34 72.99 -152.83 -173.91 92.71 6.88 0.41 14.57 74.35 3.94 0.08 0.28 0.00 6.07 0.71 76 N C C 77.75 6.49 22.66 29.19 119.49 -62.00 -98.62 146.93 96.11 2.20 1.70 85.41 9.37 1.37 1.30 0.41 0.00 1.14 0.99 77 N H H 35.78 21.16 14.57 34.79 93.27 -124.99 -63.12 -35.22 10.02 0.09 89.89 3.11 2.88 4.16 88.58 1.19 0.01 0.03 0.04 78 I H H 89.47 7.42 21.67 29.46 92.44 55.07 -64.92 -40.68 4.79 0.05 95.16 0.93 0.73 3.07 94.09 1.13 0.02 0.02 0.02 79 E H H 91.27 4.85 23.59 28.36 92.42 49.20 -66.16 -40.50 2.29 0.05 97.66 0.60 0.32 1.36 96.53 1.13 0.01 0.03 0.01 80 L H H 6.45 22.46 16.11 38.88 91.97 51.87 -63.87 -42.79 0.95 0.02 99.03 0.20 0.13 0.55 98.40 0.70 0.00 0.01 0.00 81 G H H 8.39 16.24 16.74 33.75 91.76 51.60 -62.80 -42.12 1.45 0.02 98.53 0.28 0.14 0.92 97.62 1.02 0.00 0.01 0.00 82 T H H 90.98 2.29 21.66 23.35 92.23 49.45 -65.88 -40.36 1.83 0.02 98.16 0.23 0.15 1.32 96.78 1.50 0.00 0.01 0.00 83 A H H 45.13 10.93 17.59 29.02 92.30 52.07 -67.30 -34.44 5.09 0.03 94.88 0.25 0.34 4.45 93.73 1.20 0.01 0.01 0.01 84 C H H 25.02 17.63 14.15 31.73 95.14 40.42 -90.13 -6.69 49.39 0.09 50.52 0.84 2.20 45.72 49.54 1.57 0.03 0.03 0.07 85 G C T 58.43 1.67 20.15 21.00 94.81 -115.30 77.85 14.89 99.14 0.04 0.82 4.33 5.73 89.29 0.37 0.23 0.00 0.02 0.02 86 K C C 73.57 11.35 12.15 24.49 130.97 113.18 -121.45 156.65 98.50 0.77 0.73 49.44 45.63 3.40 0.21 0.48 0.00 0.26 0.58 87 Y C C 164.30 3.61 17.80 22.34 99.43 -132.52 -83.41 -6.63 97.34 1.30 1.37 52.75 38.34 6.16 0.23 1.21 0.00 0.58 0.74 88 Y C C 80.44 12.33 17.27 29.96 129.59 70.40 -120.63 154.66 95.22 2.88 1.91 43.62 43.14 8.45 0.26 1.85 0.00 1.67 1.01 89 R C C 105.05 11.66 23.39 34.53 111.18 -106.38 -82.91 130.65 89.03 9.34 1.64 59.02 23.65 6.20 0.25 1.73 0.00 7.31 1.84 90 V C C 11.21 23.55 19.57 42.78 121.31 -149.00 -111.42 133.00 73.11 26.59 0.30 64.93 6.88 0.69 0.07 0.27 0.00 24.67 2.48 91 C C C 18.24 19.20 26.04 44.49 100.34 -169.75 -91.95 -27.61 71.04 28.88 0.08 40.09 30.82 0.54 0.01 0.08 0.00 28.06 0.40 92 T E E 7.20 22.57 27.24 49.36 134.82 15.10 -142.87 143.04 8.14 91.79 0.07 6.91 1.03 0.09 0.01 0.04 0.00 91.65 0.27 93 L E E 2.18 26.74 27.07 53.31 124.28 -163.87 -124.23 134.33 0.87 99.12 0.01 0.81 0.04 0.00 0.00 0.00 0.00 99.11 0.03 94 A E E 5.98 22.32 28.51 49.96 119.53 -160.14 -110.77 129.16 0.49 99.50 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.52 0.01 95 I E E 6.71 24.02 22.48 46.46 113.76 -154.67 -100.07 121.83 2.53 97.47 0.00 2.52 0.05 0.00 0.00 0.00 0.00 97.27 0.16 96 I C C 50.23 14.70 23.14 37.43 100.21 -176.06 -92.55 -24.67 65.98 33.97 0.05 36.20 29.18 0.55 0.01 0.04 0.00 33.62 0.40 97 D C S 60.56 8.74 21.57 30.99 116.96 45.33 -122.63 113.42 94.88 4.74 0.38 30.75 62.40 1.68 0.18 0.15 0.00 4.34 0.49 98 P C T 64.49 13.58 15.41 29.14 93.74 -147.30 -62.50 -27.92 62.36 0.90 36.73 9.31 9.11 42.85 28.04 9.60 0.08 0.56 0.45 99 G C T 42.50 4.54 20.94 25.89 93.08 58.28 -66.02 -29.51 57.62 0.43 41.95 7.58 7.11 41.82 34.77 8.16 0.06 0.22 0.28 100 D H H 41.46 14.49 17.30 31.77 95.10 54.98 -82.18 -16.40 35.20 0.49 64.30 20.28 5.28 10.70 55.08 8.17 0.01 0.24 0.24 101 S H H 15.11 20.62 14.20 34.21 93.10 74.09 -63.23 -39.61 10.99 0.12 88.89 5.46 2.01 3.98 85.88 2.56 0.01 0.06 0.04 102 D H H 91.75 2.98 23.25 25.88 92.42 54.37 -64.85 -37.87 5.04 0.08 94.88 2.03 0.87 2.33 92.77 1.93 0.01 0.04 0.02 103 I H H 63.68 8.40 20.84 29.88 92.19 51.42 -64.99 -41.94 2.99 0.07 96.94 1.05 0.44 1.57 94.88 1.99 0.01 0.05 0.01 104 I H H 14.27 22.31 15.88 37.75 92.53 49.85 -65.05 -41.57 3.11 0.09 96.79 0.81 0.41 1.86 94.49 2.33 0.01 0.07 0.02 105 R H H 109.25 10.64 19.80 30.42 92.26 52.24 -65.76 -36.26 10.56 0.11 89.33 1.35 0.99 7.93 87.23 2.36 0.03 0.07 0.04 106 S H H 61.08 3.23 20.60 23.36 94.28 50.62 -76.47 -23.77 30.65 0.21 69.14 3.58 3.48 23.45 66.60 2.62 0.06 0.09 0.13 107 M H H 43.43 13.03 14.74 28.68 96.99 66.25 -66.51 -41.41 34.10 0.51 65.39 15.93 10.83 8.99 57.31 6.45 0.04 0.21 0.24 108 P H H 43.01 11.96 14.25 27.02 94.21 51.70 -65.72 -37.34 29.22 0.79 69.99 16.40 4.22 9.23 59.04 10.32 0.02 0.46 0.28 109 E H H 126.99 2.67 16.13 19.31 94.68 52.56 -69.31 -34.66 25.61 1.18 73.21 12.40 4.59 9.64 60.62 11.59 0.06 0.72 0.39 110 Q H H 112.75 3.89 13.85 18.82 96.52 53.69 -74.00 -27.21 32.68 1.46 65.85 13.54 6.93 14.03 56.41 7.60 0.09 0.83 0.57 111 T C H 70.83 7.89 11.15 20.13 100.41 51.61 -88.95 -7.08 53.45 1.55 45.00 14.40 12.12 28.19 39.25 4.46 0.13 0.72 0.75 112 G C T 50.16 3.81 12.00 17.26 105.30 -70.58 78.28 13.94 81.59 2.78 15.63 28.67 19.27 34.71 11.08 3.77 0.02 1.44 1.04 113 E C C 125.77 4.11 9.81 15.75 110.97 134.48 -86.38 120.15 90.50 2.75 6.75 80.09 2.93 7.99 4.57 1.62 0.00 1.63 1.16 114 K C C 143.56 3.63 12.09 17.54 109.79 -147.44 -90.34 117.69 99.83 0.12 0.04 99.73 0.10 0.07 0.02 0.00 0.00 0.07 0.01