# 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 R C C 135.79 6.62 14.10 22.12 114.59 -154.81 -92.95 132.44 99.92 0.07 0.01 99.87 0.06 0.03 0.00 0.00 0.00 0.03 0.01 1 K C C 137.87 3.99 13.36 19.08 113.43 -147.34 -91.92 124.51 90.96 5.04 3.99 87.79 1.06 2.76 1.93 1.37 0.00 2.55 2.55 2 L C C 81.47 10.75 9.39 20.55 108.04 -137.78 -80.45 114.41 89.54 3.79 6.67 51.33 14.85 23.67 1.90 4.56 0.00 2.20 1.49 3 G C C 50.88 3.60 13.57 18.22 104.33 11.96 81.51 3.54 91.04 2.17 6.79 44.74 21.98 24.59 1.96 4.67 0.00 1.10 0.95 4 R C C 132.04 5.76 10.99 18.36 112.07 106.96 -90.93 141.32 91.71 1.55 6.74 42.75 41.26 8.16 3.22 2.96 0.00 0.60 1.05 5 T C C 80.96 2.84 14.04 17.47 117.41 -99.04 -87.06 158.80 93.15 1.46 5.39 61.16 29.15 2.71 4.51 0.97 0.00 0.45 1.05 6 S H H 65.29 6.18 11.79 19.41 97.54 -102.46 -61.95 -41.95 9.14 0.04 90.82 2.92 2.98 3.32 89.83 0.91 0.00 0.01 0.02 7 D H H 109.29 1.60 15.29 16.77 93.52 50.05 -65.60 -38.07 4.39 0.02 95.59 1.04 0.65 2.47 94.92 0.90 0.01 0.01 0.01 8 Q H H 95.15 3.60 16.05 20.46 92.63 50.82 -66.18 -39.79 1.97 0.01 98.01 0.73 0.24 0.96 97.21 0.84 0.00 0.01 0.00 9 R H H 54.76 15.02 14.04 29.22 91.59 51.12 -64.31 -41.83 0.71 0.00 99.28 0.25 0.08 0.32 99.08 0.27 0.00 0.00 0.00 10 K H H 88.35 10.17 18.80 29.37 91.45 51.21 -62.92 -41.37 0.40 0.00 99.59 0.11 0.03 0.20 99.56 0.09 0.00 0.00 0.00 11 A H H 52.40 2.99 22.43 24.71 91.32 50.38 -63.48 -41.56 0.39 0.00 99.61 0.08 0.03 0.22 99.60 0.07 0.00 0.00 0.00 12 M H H 51.63 11.20 21.12 32.85 91.85 49.87 -64.77 -41.86 0.44 0.00 99.56 0.07 0.02 0.26 99.58 0.06 0.00 0.00 0.00 13 L H H 11.38 22.73 18.68 40.88 91.28 50.64 -63.45 -42.56 0.19 0.00 99.81 0.03 0.01 0.10 99.83 0.03 0.00 0.00 0.00 14 R H H 104.36 10.67 23.17 33.68 91.25 51.18 -62.52 -41.98 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 15 D H H 79.15 3.90 26.32 30.09 91.75 49.48 -65.16 -41.14 0.20 0.00 99.80 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 16 L H H 16.36 18.88 21.90 40.41 91.73 49.59 -64.58 -42.60 0.42 0.00 99.58 0.03 0.02 0.30 99.60 0.05 0.00 0.00 0.00 17 A H H 6.03 23.18 20.60 43.35 91.40 50.60 -63.56 -42.74 0.66 0.00 99.34 0.06 0.04 0.44 99.40 0.06 0.00 0.00 0.00 18 T H H 52.67 8.01 25.01 33.25 91.65 50.78 -64.26 -42.14 0.89 0.00 99.11 0.14 0.07 0.58 99.08 0.14 0.00 0.00 0.00 19 S H H 32.67 8.33 23.20 32.53 91.70 50.75 -64.84 -40.70 1.32 0.01 98.67 0.21 0.11 0.89 98.47 0.32 0.00 0.00 0.00 20 L H H 7.16 22.94 17.20 40.07 91.80 50.66 -65.08 -41.88 1.70 0.01 98.29 0.25 0.14 1.25 97.85 0.48 0.01 0.01 0.00 21 I H H 44.25 17.15 19.07 35.39 93.65 45.22 -69.15 -39.65 4.16 0.04 95.80 0.36 0.32 3.41 95.37 0.49 0.02 0.02 0.01 22 I H H 96.91 5.09 21.15 26.36 97.51 39.61 -82.39 -36.53 14.49 0.06 85.45 0.84 1.38 11.90 85.34 0.45 0.03 0.02 0.03 23 S H H 52.16 7.44 18.05 26.11 101.56 25.46 -103.00 -7.41 46.87 0.51 52.62 13.64 8.82 22.94 53.28 0.85 0.02 0.18 0.27 24 E C S 94.11 13.78 16.31 29.59 95.54 -134.55 62.54 16.35 97.35 2.04 0.60 25.69 66.30 5.46 0.23 0.31 0.00 1.79 0.23 25 R C E 104.46 7.30 22.55 30.86 134.01 65.33 -138.22 148.67 51.58 47.80 0.62 42.00 6.04 2.04 0.14 0.43 0.00 48.68 0.66 26 I E E 13.12 23.89 14.62 38.51 125.43 -168.04 -127.49 134.94 23.92 75.96 0.12 23.04 0.66 0.09 0.04 0.05 0.00 74.97 1.15 27 E E E 101.13 6.64 25.59 32.99 118.03 -155.76 -108.21 128.72 13.29 86.65 0.06 12.57 0.75 0.06 0.03 0.02 0.00 85.77 0.80 28 T E E 15.61 20.86 13.81 34.32 139.09 158.67 -144.55 166.48 32.30 67.66 0.04 30.22 1.76 0.06 0.02 0.02 0.00 67.27 0.67 29 T C C 60.74 5.08 22.07 27.01 119.52 -98.88 -75.49 161.65 73.19 26.68 0.13 71.79 1.66 0.09 0.08 0.04 0.00 25.17 1.16 30 E H H 109.71 8.90 15.43 25.35 91.70 -106.78 -58.33 -38.92 2.43 0.01 97.56 0.32 0.35 1.55 97.23 0.54 0.00 0.00 0.00 31 A H H 65.78 2.08 21.54 22.33 91.51 52.61 -63.46 -40.97 1.80 0.00 98.20 0.16 0.14 1.34 97.80 0.56 0.00 0.00 0.00 32 R H H 68.57 12.83 18.90 31.84 92.25 47.68 -66.97 -39.04 0.89 0.00 99.11 0.14 0.07 0.58 98.62 0.60 0.00 0.00 0.00 33 A H H 5.61 22.45 14.28 36.92 91.32 53.40 -62.41 -42.32 0.26 0.00 99.74 0.04 0.01 0.13 99.67 0.14 0.00 0.00 0.00 34 K H H 120.48 3.49 23.95 27.47 91.44 50.97 -63.91 -40.38 0.42 0.00 99.58 0.02 0.02 0.31 99.51 0.14 0.00 0.00 0.00 35 E H H 90.43 5.23 23.78 29.09 91.77 49.96 -65.12 -41.61 1.48 0.00 98.52 0.05 0.04 1.29 98.42 0.19 0.00 0.00 0.00 36 V H H 3.46 25.14 17.41 42.65 92.09 49.04 -65.91 -41.15 2.16 0.00 97.83 0.14 0.10 1.66 97.95 0.14 0.00 0.00 0.00 37 R H H 85.95 16.15 21.33 35.91 91.27 54.47 -60.86 -42.62 0.55 0.00 99.45 0.11 0.03 0.25 99.56 0.06 0.00 0.00 0.00 38 S H H 61.95 2.41 25.97 26.98 91.55 50.49 -64.06 -40.65 0.40 0.00 99.60 0.05 0.01 0.24 99.63 0.07 0.00 0.00 0.00 39 V H H 25.83 14.53 21.82 36.54 92.06 49.11 -65.59 -42.31 0.18 0.00 99.82 0.02 0.00 0.10 99.84 0.04 0.00 0.00 0.00 40 V H H 2.58 26.37 18.02 44.77 91.29 50.85 -63.10 -43.48 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 41 E H H 86.12 8.93 24.39 33.47 91.13 51.54 -62.41 -41.53 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 42 K H H 106.43 4.21 26.49 30.80 91.62 50.17 -64.86 -40.98 0.12 0.00 99.88 0.00 0.00 0.08 99.89 0.01 0.00 0.00 0.00 43 L H H 6.30 23.26 20.69 43.58 91.57 49.89 -64.49 -43.07 0.18 0.00 99.82 0.01 0.01 0.15 99.81 0.03 0.00 0.00 0.00 44 I H H 18.21 20.88 21.80 41.72 91.52 49.44 -64.03 -42.37 0.48 0.00 99.52 0.04 0.03 0.38 99.37 0.19 0.00 0.00 0.00 45 T H H 69.40 3.62 26.70 29.88 91.42 50.15 -64.00 -42.49 1.52 0.00 98.48 0.13 0.11 1.20 97.98 0.57 0.00 0.00 0.00 46 L H H 37.48 10.18 21.93 33.27 91.69 49.99 -65.01 -40.58 2.07 0.00 97.92 0.18 0.16 1.55 96.60 1.51 0.00 0.00 0.00 47 G H H 3.44 23.26 14.47 37.80 91.52 53.03 -65.32 -37.97 6.20 0.01 93.78 0.76 0.48 4.61 91.40 2.74 0.01 0.01 0.01 48 K H H 107.71 9.22 20.22 29.85 92.10 53.53 -68.79 -31.92 15.61 0.04 84.36 1.00 1.26 13.15 82.23 2.30 0.03 0.01 0.02 49 K H H 139.79 1.96 21.44 22.36 97.16 48.02 -89.04 -7.08 32.88 0.11 67.01 3.00 5.30 24.35 65.50 1.68 0.04 0.03 0.09 50 G C C 32.42 15.19 12.58 26.75 105.30 -127.44 72.34 42.58 98.87 0.26 0.87 43.85 25.07 30.04 0.49 0.30 0.00 0.11 0.15 51 D C C 75.14 3.99 19.81 23.95 122.72 143.43 -98.59 162.09 98.57 0.76 0.68 89.18 8.78 0.41 0.56 0.12 0.00 0.16 0.80 52 L H H 98.52 8.00 15.39 24.57 92.38 -104.52 -59.93 -36.95 4.62 0.01 95.37 0.85 0.86 2.66 94.91 0.70 0.00 0.00 0.01 53 A H H 65.27 2.57 20.80 22.72 91.58 53.17 -64.25 -40.85 2.52 0.01 97.47 0.31 0.23 1.77 96.87 0.81 0.00 0.00 0.00 54 S H H 16.53 13.66 16.54 31.48 91.79 49.74 -64.98 -40.83 0.84 0.00 99.16 0.20 0.08 0.46 98.56 0.71 0.00 0.00 0.00 55 R H H 54.41 18.76 17.57 35.16 91.79 52.07 -62.80 -42.24 0.28 0.00 99.72 0.05 0.02 0.15 99.59 0.19 0.00 0.00 0.00 56 R H H 124.12 4.75 24.69 29.76 91.71 50.20 -64.20 -41.03 0.31 0.00 99.69 0.04 0.02 0.19 99.63 0.12 0.00 0.00 0.00 57 N H H 71.54 5.72 25.37 31.15 91.59 49.79 -64.64 -41.29 0.42 0.00 99.58 0.04 0.02 0.28 99.53 0.13 0.00 0.00 0.00 58 A H H 2.99 23.47 18.61 42.36 91.36 50.88 -63.35 -42.84 0.53 0.00 99.47 0.05 0.03 0.34 99.34 0.23 0.00 0.00 0.00 59 A H H 18.92 17.01 21.05 37.76 91.40 52.09 -62.70 -41.11 1.01 0.00 98.99 0.08 0.04 0.75 97.93 1.19 0.00 0.00 0.00 60 K H H 117.21 2.82 25.82 28.00 91.86 51.25 -64.30 -40.35 3.90 0.01 96.10 0.19 0.15 3.33 93.76 2.55 0.01 0.00 0.00 61 T H H 33.88 13.25 21.20 34.58 92.25 49.97 -66.53 -40.36 8.83 0.04 91.14 0.60 0.52 7.31 89.14 2.39 0.01 0.01 0.01 62 L H H 5.62 24.79 15.93 40.55 94.63 49.29 -74.26 -30.59 23.36 1.27 75.37 6.74 4.13 13.64 71.73 2.48 0.11 0.64 0.53 63 R C H 110.65 10.74 19.79 30.30 95.23 63.62 -68.45 -30.30 52.16 2.58 45.27 19.88 9.08 22.57 43.61 2.59 0.05 1.34 0.90 64 N C C 94.82 5.05 20.18 25.43 98.19 52.89 -78.94 0.46 68.20 2.80 29.01 35.62 10.19 21.08 26.92 3.66 0.01 1.79 0.73 65 V C C 38.46 16.05 13.04 28.78 104.06 106.02 -83.51 14.39 56.27 9.12 34.62 37.23 9.54 9.14 29.77 5.55 0.03 7.30 1.44 66 E C C 106.06 6.45 18.44 25.38 103.44 83.29 -80.75 -4.53 43.33 23.58 33.09 29.89 6.23 7.04 27.91 5.83 0.08 20.57 2.46 67 I C H 62.23 11.94 13.42 25.94 103.27 69.01 -84.26 13.50 40.26 27.10 32.64 27.00 6.28 7.22 27.64 5.49 0.14 23.37 2.86 68 L C C 80.77 9.20 13.62 23.57 103.92 72.37 -88.24 0.88 57.92 15.11 26.97 31.71 10.54 15.07 23.14 4.71 0.14 12.69 2.01 69 N C C 99.60 4.89 13.43 19.51 103.86 40.18 -86.83 35.15 81.10 3.30 15.60 36.60 16.72 27.98 11.82 3.89 0.01 2.11 0.88 70 E C C 123.99 4.70 12.08 18.22 101.93 73.72 -79.10 12.89 83.83 1.22 14.95 34.83 20.90 28.09 10.88 4.16 0.00 0.60 0.55 71 D C C 99.34 3.79 13.01 18.05 102.81 74.29 -82.95 14.92 74.50 1.47 24.03 29.23 20.56 24.78 18.79 5.24 0.02 0.73 0.65 72 E C H 111.69 6.03 13.42 20.60 99.99 74.04 -73.76 -14.20 56.42 6.18 37.39 30.72 14.41 11.83 32.02 5.26 0.10 4.24 1.42 73 T H H 66.28 7.01 16.53 24.35 99.24 63.25 -75.76 -29.04 43.10 10.16 46.74 30.59 6.44 6.55 42.21 4.30 0.05 8.19 1.67 74 T H H 32.78 16.02 14.61 30.22 95.97 59.64 -70.50 -33.79 37.02 7.59 55.39 27.28 4.85 5.39 51.48 3.56 0.02 6.26 1.16 75 Q H H 78.94 10.71 18.71 29.43 94.08 61.19 -67.93 -36.33 32.10 3.54 64.36 22.98 4.56 4.86 61.97 2.45 0.01 2.59 0.59 76 T H H 70.69 4.39 23.33 27.17 94.26 51.59 -68.87 -39.15 29.58 1.79 68.63 22.32 3.21 4.04 67.38 1.60 0.00 1.07 0.38 77 A H H 14.07 16.19 19.52 36.05 92.70 53.38 -64.61 -42.22 7.14 0.23 92.64 4.99 0.84 1.61 91.67 0.72 0.00 0.12 0.05 78 L H H 10.39 22.82 18.74 41.03 92.03 51.08 -63.62 -42.15 1.51 0.04 98.46 0.75 0.18 0.58 98.08 0.39 0.00 0.02 0.00 79 Q H H 84.79 7.90 23.85 32.00 91.51 51.30 -63.44 -41.39 0.85 0.02 99.13 0.33 0.09 0.38 98.85 0.33 0.00 0.01 0.00 80 K H H 90.04 6.29 24.38 30.88 91.72 50.01 -64.58 -41.50 0.91 0.02 99.07 0.25 0.09 0.50 98.74 0.39 0.00 0.01 0.00 81 L H H 5.67 23.56 19.20 42.67 91.61 49.24 -63.88 -43.35 1.36 0.03 98.62 0.25 0.12 0.90 98.28 0.41 0.01 0.01 0.01 82 F H H 26.80 20.88 19.91 39.73 93.14 44.34 -68.37 -39.30 3.74 0.04 96.22 0.29 0.30 3.20 95.58 0.53 0.06 0.01 0.02 83 G H H 36.22 5.06 22.93 28.08 99.02 40.35 -80.39 -41.94 18.27 0.04 81.69 0.32 0.80 17.69 80.27 0.78 0.10 0.01 0.03 84 E C T 89.16 5.72 22.81 28.75 102.33 31.17 -90.53 -41.38 54.86 0.08 45.06 0.53 2.11 51.30 44.93 0.99 0.05 0.02 0.07 85 I H H 6.48 22.01 18.39 40.55 96.28 40.22 -73.75 -43.88 22.44 0.07 77.48 0.77 1.53 20.25 72.77 4.49 0.11 0.02 0.05 86 A H H 8.86 20.34 16.50 37.04 91.01 52.52 -61.83 -42.19 4.04 0.02 95.94 0.54 0.29 2.79 78.88 17.48 0.00 0.01 0.00 87 E H H 114.17 2.78 22.98 25.22 91.56 51.24 -64.46 -37.30 3.36 0.01 96.63 0.21 0.16 2.59 76.27 20.76 0.00 0.01 0.00 88 R H H 107.01 7.92 20.06 28.48 91.84 51.38 -68.64 -30.92 6.10 0.02 93.88 0.29 0.33 4.95 75.47 18.94 0.01 0.01 0.00 89 Y H H 15.49 21.50 12.33 34.03 99.46 40.48 -105.20 6.11 35.23 0.71 64.06 4.58 4.20 25.55 51.11 13.41 0.28 0.23 0.64 90 T C T 72.12 10.98 15.15 26.82 92.55 104.46 -62.24 -30.23 83.72 0.44 15.84 5.70 5.74 71.82 9.39 6.77 0.01 0.20 0.37 91 E C T 154.94 1.07 19.14 18.54 94.95 49.44 -87.39 -2.22 87.96 0.34 11.70 3.83 10.20 74.15 3.49 7.92 0.00 0.20 0.21 92 R C C 77.13 15.06 10.35 25.06 117.33 96.47 -89.07 135.92 92.74 1.07 6.19 72.74 15.21 4.52 1.31 4.96 0.00 0.48 0.78 93 Q C T 138.11 2.30 19.07 21.77 111.03 -138.29 -84.38 126.23 93.76 3.85 2.39 30.78 22.73 40.47 0.44 1.98 0.00 1.82 1.78 94 G C T 30.28 8.69 18.63 27.93 123.00 16.36 112.30 -172.00 92.34 6.43 1.23 9.21 37.27 46.21 0.07 1.36 0.00 5.11 0.76 95 G C C 18.07 15.41 18.25 33.10 128.79 -86.56 120.44 -179.17 77.06 22.05 0.89 53.91 17.60 4.87 0.09 1.07 0.00 21.35 1.10 96 Y E E 60.66 15.36 22.49 37.24 131.77 -119.74 -134.45 152.95 23.84 76.09 0.07 20.66 2.76 0.19 0.02 0.06 0.00 75.35 0.98 97 T E E 22.37 21.25 18.21 38.83 126.43 -148.44 -120.80 139.44 3.21 96.79 0.01 2.87 0.17 0.01 0.00 0.00 0.00 96.88 0.06 98 R E E 82.89 11.36 24.59 35.96 128.34 -169.66 -126.91 142.10 0.59 99.40 0.00 0.53 0.02 0.00 0.00 0.00 0.00 99.44 0.01 99 I E E 42.86 18.85 17.77 35.98 119.46 -151.63 -110.17 127.94 0.44 99.56 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.59 0.01 100 L E E 48.89 11.76 20.15 32.74 124.63 -170.05 -119.71 137.41 0.40 99.59 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.61 0.01 101 K E E 103.12 9.95 18.96 29.46 113.89 -125.97 -85.53 128.21 1.93 98.06 0.01 1.74 0.08 0.01 0.00 0.00 0.00 98.12 0.06 102 Q E E 59.62 13.93 14.90 29.02 119.05 -171.64 -111.79 132.04 25.17 74.79 0.04 21.82 2.64 0.15 0.01 0.03 0.00 74.89 0.46 103 G E E 27.74 5.54 18.90 25.31 137.43 -72.13 145.65 -176.87 46.57 53.40 0.03 31.56 14.04 0.37 0.00 0.03 0.00 53.55 0.44 104 P C C 86.23 4.98 15.96 22.19 115.01 -53.96 -68.08 147.00 52.84 46.82 0.34 47.37 3.51 0.54 0.12 0.25 0.00 42.70 5.51 105 R C C 88.68 12.00 9.04 21.50 113.76 -114.72 -79.88 136.03 65.99 33.26 0.75 58.96 4.74 0.92 0.38 0.45 0.00 19.25 15.30 106 R C T 182.12 1.71 11.78 14.70 107.85 -111.09 -67.78 129.92 89.78 2.64 7.57 5.78 19.73 63.27 0.40 8.24 0.00 1.73 0.87 107 G C T 67.41 0.46 12.18 11.04 100.51 13.64 80.30 -8.33 89.66 0.70 9.64 2.31 14.68 70.99 0.35 10.92 0.00 0.40 0.35 108 D C T 94.10 4.01 9.97 15.33 102.36 54.39 -97.88 3.35 88.89 1.10 10.01 5.18 18.47 62.96 0.41 11.80 0.00 0.61 0.57 109 G C S 53.47 2.86 13.55 17.46 96.44 -121.41 78.05 7.11 95.20 2.92 1.88 30.92 32.56 31.72 0.18 2.01 0.00 1.77 0.84 110 A C C 34.52 9.51 12.21 23.62 120.24 133.06 -77.78 152.24 82.96 16.79 0.25 65.04 17.32 0.92 0.05 0.24 0.00 14.36 2.07 111 E E E 76.64 8.92 18.85 28.55 114.96 -105.30 -71.93 144.95 36.13 63.79 0.08 33.98 1.39 0.13 0.03 0.05 0.00 59.88 4.55 112 S E E 18.25 16.97 17.94 35.02 131.46 -160.87 -123.68 155.23 20.07 79.91 0.02 17.68 2.01 0.08 0.00 0.02 0.00 79.85 0.37 113 V E E 11.36 20.25 19.21 39.85 124.72 -143.83 -118.26 138.22 1.74 98.26 0.00 1.71 0.06 0.00 0.00 0.00 0.00 98.18 0.04 114 I E E 36.33 12.48 24.69 38.00 116.22 -143.14 -100.81 126.50 0.41 99.59 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.01 115 I E E 7.46 24.00 18.07 42.40 120.71 -165.08 -111.69 130.99 0.26 99.74 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.00 116 E E E 64.19 10.00 24.93 35.23 121.73 -164.10 -113.27 133.71 0.31 99.69 0.00 0.30 0.00 0.00 0.00 0.00 0.00 99.68 0.01 117 L E E 27.14 19.78 16.53 36.15 114.72 -134.62 -87.00 129.12 3.66 96.33 0.01 3.80 0.04 0.00 0.00 0.00 0.00 95.96 0.19 118 V C C 39.60 13.37 20.18 33.95 116.04 -160.84 -103.46 126.99 96.59 3.40 0.00 96.74 0.05 0.00 0.00 0.00 0.00 3.17 0.03