# 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 H C C 123.83 5.10 17.58 23.61 113.34 -160.86 -102.55 113.40 99.76 0.23 0.01 99.72 0.08 0.03 0.00 0.00 0.00 0.15 0.01 1 M C C 61.31 16.70 9.87 25.54 120.90 -160.86 -106.61 134.75 74.27 25.21 0.52 72.17 0.82 0.60 0.12 0.22 0.00 25.37 0.69 2 Q E E 112.88 3.32 19.15 23.16 119.32 -157.89 -109.39 134.19 28.55 70.84 0.60 24.29 3.09 0.81 0.16 0.37 0.00 70.60 0.68 3 V E E 50.86 19.10 10.70 28.33 124.58 -165.98 -119.65 136.11 14.75 85.01 0.24 13.24 0.95 0.18 0.07 0.11 0.00 85.21 0.25 4 S E E 53.70 4.66 21.25 26.42 128.70 -174.34 -129.81 149.56 6.62 93.16 0.22 5.68 0.52 0.14 0.06 0.08 0.00 93.39 0.12 5 V E E 62.11 16.66 12.10 28.04 122.60 -153.19 -119.15 131.66 6.57 93.10 0.33 5.84 0.39 0.11 0.12 0.10 0.00 93.29 0.14 6 E E E 99.65 4.83 18.83 24.79 124.15 -173.34 -122.35 140.20 7.33 92.11 0.57 6.29 0.57 0.22 0.23 0.19 0.00 92.33 0.17 7 T E E 81.40 8.17 13.19 22.88 116.58 -139.59 -99.19 129.36 16.45 82.79 0.76 14.31 1.44 0.52 0.26 0.35 0.00 82.69 0.42 8 T E E 58.66 9.04 11.46 21.90 119.10 -170.92 -111.70 140.39 41.72 56.88 1.40 33.74 5.89 2.21 0.39 0.89 0.00 55.87 1.00 9 Q C T 148.02 1.35 14.31 15.68 108.84 -84.85 -76.36 120.79 73.79 22.12 4.09 7.40 16.76 51.11 0.38 3.55 0.02 19.36 1.42 10 G C T 54.73 2.35 15.53 18.30 109.75 -7.86 75.33 -122.85 95.21 1.11 3.68 4.53 17.15 73.26 0.28 3.65 0.00 0.86 0.26 11 L C T 70.33 12.80 14.02 26.68 105.73 -16.65 -93.90 13.48 93.75 3.31 2.94 6.69 23.07 63.98 0.26 2.79 0.00 2.74 0.46 12 G E E 15.36 12.31 17.93 30.87 129.27 117.40 -119.09 173.65 32.22 67.52 0.27 21.67 8.19 2.48 0.04 0.23 0.00 66.75 0.63 13 R E E 50.00 16.62 17.89 34.47 129.07 -127.05 -127.94 143.62 8.20 91.72 0.08 7.15 0.59 0.10 0.03 0.03 0.00 91.96 0.15 14 R E E 82.02 11.80 22.58 34.48 122.70 -156.35 -116.75 133.10 2.28 97.69 0.04 1.92 0.16 0.02 0.01 0.01 0.00 97.85 0.04 15 V E E 7.45 22.46 18.04 40.91 122.24 -165.71 -118.02 132.70 0.80 99.18 0.02 0.72 0.03 0.00 0.01 0.00 0.00 99.23 0.01 16 T E E 35.76 10.70 25.16 36.70 119.53 -161.01 -111.59 128.59 0.62 99.36 0.02 0.56 0.02 0.00 0.01 0.00 0.00 99.39 0.01 17 I E E 6.49 23.77 18.46 42.63 122.31 -169.80 -119.08 131.41 0.68 99.31 0.02 0.64 0.02 0.00 0.01 0.00 0.00 99.32 0.01 18 T E E 41.29 10.88 25.97 37.34 119.01 -158.15 -110.40 128.32 2.36 97.60 0.05 2.15 0.11 0.02 0.02 0.01 0.00 97.62 0.06 19 I E E 7.28 23.55 16.74 40.66 127.10 -173.34 -123.36 140.48 14.55 85.12 0.33 14.17 0.54 0.09 0.29 0.09 0.00 84.26 0.55 20 A C C 34.49 6.77 23.91 31.62 114.52 -114.01 -71.86 143.09 71.73 27.84 0.43 70.01 1.09 0.16 0.27 0.10 0.00 27.69 0.66 21 A H H 27.38 17.97 14.73 32.50 92.38 -122.19 -58.76 -38.64 7.37 0.13 92.51 2.32 1.26 3.69 86.26 6.33 0.02 0.09 0.03 22 D H H 103.61 1.91 22.41 23.55 91.73 54.71 -63.94 -37.18 4.33 0.06 95.62 0.77 0.48 2.80 89.89 6.00 0.01 0.04 0.01 23 S H H 40.11 8.36 20.03 29.24 92.40 49.49 -67.02 -38.98 2.83 0.04 97.13 0.65 0.30 1.67 90.92 6.41 0.00 0.03 0.01 24 I H H 5.98 24.18 14.96 39.12 92.19 50.45 -64.96 -43.07 1.09 0.01 98.90 0.28 0.13 0.56 98.17 0.85 0.00 0.00 0.00 25 E H H 79.83 12.04 20.38 32.15 91.23 51.95 -61.87 -41.90 0.25 0.00 99.75 0.06 0.02 0.11 99.75 0.05 0.00 0.00 0.00 26 T H H 79.95 2.16 24.29 24.72 91.95 49.48 -64.99 -41.42 0.18 0.00 99.82 0.03 0.01 0.10 99.83 0.03 0.00 0.00 0.00 27 A H H 23.32 11.10 20.40 32.67 91.86 49.84 -64.60 -42.10 0.17 0.00 99.83 0.02 0.01 0.09 99.85 0.02 0.00 0.00 0.00 28 V H H 9.54 22.04 17.83 39.67 91.60 49.12 -64.00 -43.22 0.15 0.00 99.85 0.02 0.01 0.07 99.88 0.01 0.00 0.00 0.00 29 K H H 96.63 9.87 22.01 32.04 91.31 51.25 -62.05 -42.20 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 30 S H H 59.89 2.89 24.33 26.14 91.74 49.44 -64.63 -41.76 0.11 0.00 99.89 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 31 E H H 54.41 11.99 21.74 33.88 92.14 49.14 -65.69 -41.38 0.12 0.00 99.88 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 32 L H H 9.59 22.52 17.91 40.16 91.73 49.43 -64.15 -43.03 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 33 V H H 58.82 8.72 21.91 31.13 91.49 50.26 -63.39 -41.56 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 34 N H H 85.81 2.55 24.43 25.61 91.78 49.50 -64.72 -41.32 0.52 0.00 99.48 0.03 0.01 0.41 99.47 0.08 0.00 0.00 0.00 35 V H H 19.55 14.44 18.86 34.23 92.05 49.63 -65.03 -41.88 0.73 0.00 99.27 0.05 0.03 0.57 99.05 0.31 0.00 0.00 0.00 36 A H H 12.76 19.76 14.45 34.24 91.14 53.68 -64.23 -35.99 1.99 0.00 98.01 0.11 0.08 1.65 95.98 2.16 0.00 0.00 0.00 37 K H H 139.46 3.24 19.57 23.64 91.64 56.51 -69.62 -26.12 24.50 0.02 75.48 0.34 0.56 24.57 72.08 2.41 0.02 0.01 0.01 38 K H H 138.43 2.66 19.20 21.77 96.18 48.64 -90.88 -10.96 46.83 0.07 53.10 1.17 2.16 42.51 52.02 2.04 0.02 0.02 0.05 39 V C C 29.64 19.00 9.89 28.07 115.63 91.66 -87.94 132.86 94.11 1.46 4.43 58.11 32.96 2.58 4.21 0.62 0.00 0.43 1.09 40 R C C 162.42 2.69 19.97 23.44 114.56 -149.43 -98.64 124.23 93.81 5.16 1.03 92.02 1.36 0.66 0.61 0.24 0.00 1.66 3.46 41 I C C 35.40 19.10 9.18 27.17 117.07 -162.55 -106.21 128.98 88.94 10.09 0.96 80.92 5.11 0.77 0.55 0.35 0.00 2.28 10.01 42 D C T 117.59 2.05 16.27 18.82 109.18 -105.99 -66.32 128.83 96.05 2.32 1.63 2.27 6.85 87.16 0.31 1.05 0.00 1.24 1.13 43 G C T 59.36 1.74 15.60 17.28 96.14 15.46 85.51 -1.51 98.66 0.50 0.84 1.75 8.06 88.97 0.09 0.65 0.00 0.33 0.14 44 F C C 52.36 16.46 6.80 21.93 123.42 103.76 -102.42 146.60 85.75 13.43 0.82 62.76 20.01 1.01 0.37 0.43 0.00 3.29 12.12 45 R C C 158.01 1.97 15.28 17.50 116.37 -119.31 -84.49 145.62 87.08 12.24 0.68 75.90 8.26 1.14 0.31 0.35 0.00 3.50 10.54 46 K C T 160.53 2.45 13.38 17.63 107.42 -80.42 -58.98 127.61 97.13 1.23 1.64 0.89 4.73 91.84 0.15 1.16 0.00 0.68 0.55 47 G C T 51.41 4.26 14.94 20.49 95.44 13.98 83.37 -1.43 98.35 0.54 1.12 0.95 5.61 91.87 0.07 1.02 0.00 0.39 0.11 48 K C C 118.62 4.77 18.19 23.86 110.71 88.44 -107.80 22.74 79.71 18.92 1.38 41.46 33.26 4.12 0.36 1.14 0.01 6.27 13.38 49 V C C 17.65 20.60 9.93 29.74 116.10 111.18 -98.28 124.76 92.21 7.65 0.14 67.63 25.63 0.15 0.12 0.03 0.00 3.10 3.33 50 P C C 54.23 5.15 21.74 27.53 111.43 -114.30 -67.26 138.97 94.78 4.95 0.28 95.59 0.38 0.07 0.22 0.02 0.00 1.72 1.99 51 M H H 73.06 15.94 13.81 29.23 92.34 -131.28 -59.28 -37.01 2.93 0.01 97.06 0.72 0.39 1.59 96.34 0.94 0.00 0.00 0.00 52 N H H 107.74 2.24 20.93 22.91 91.77 58.45 -64.93 -34.97 1.89 0.02 98.09 0.35 0.19 1.23 96.39 1.82 0.00 0.01 0.00 53 I H H 38.12 8.86 18.54 29.14 91.94 50.78 -65.02 -42.37 0.63 0.02 99.36 0.16 0.07 0.36 98.06 1.33 0.00 0.01 0.00 54 V H H 5.25 22.36 13.73 36.46 91.82 49.90 -63.80 -43.52 0.42 0.02 99.56 0.12 0.06 0.21 99.41 0.19 0.00 0.01 0.00 55 A H H 35.71 11.50 15.93 28.31 91.92 50.45 -63.98 -40.69 0.41 0.00 99.59 0.07 0.03 0.24 99.46 0.19 0.00 0.00 0.00 56 Q H H 135.51 1.21 19.53 19.32 92.71 47.88 -67.57 -38.22 0.84 0.00 99.15 0.05 0.04 0.69 98.94 0.27 0.00 0.00 0.00 57 R H H 123.03 6.02 17.78 24.63 99.57 35.51 -86.44 -37.17 2.41 0.00 97.59 0.06 0.10 2.20 97.39 0.24 0.00 0.00 0.00 58 Y H H 52.41 16.05 13.22 29.14 103.84 24.64 -111.81 -7.52 14.56 0.07 85.38 1.16 2.47 10.81 85.01 0.44 0.04 0.02 0.06 59 G C C 24.16 10.24 16.16 27.45 101.25 113.54 -4.19 -68.69 50.99 0.28 48.73 43.71 2.46 6.63 36.66 10.28 0.00 0.12 0.15 60 A H H 67.78 4.26 18.11 23.03 93.21 20.28 -65.72 -34.44 20.04 0.13 79.84 3.39 2.59 12.73 63.11 18.01 0.03 0.06 0.07 61 S H H 57.54 3.88 20.48 24.48 92.29 54.83 -65.78 -37.97 12.12 0.11 87.77 3.21 1.31 6.53 71.40 17.44 0.01 0.06 0.04 62 V H H 12.10 19.16 15.38 34.84 91.67 52.12 -64.13 -43.01 4.99 0.06 94.94 2.10 0.74 2.14 88.73 6.23 0.01 0.03 0.02 63 R H H 82.15 15.49 19.00 33.53 91.63 51.65 -62.53 -42.39 1.96 0.03 98.00 0.80 0.28 0.93 96.52 1.44 0.01 0.02 0.01 64 Q H H 107.49 3.51 22.55 26.05 91.93 50.17 -64.89 -40.92 1.74 0.02 98.24 0.39 0.19 1.09 97.28 1.03 0.01 0.01 0.00 65 D H H 70.01 6.55 22.67 29.43 93.20 47.08 -67.57 -40.69 2.94 0.02 97.04 0.47 0.31 2.06 96.13 0.99 0.02 0.01 0.01 66 V H H 10.58 20.57 18.99 39.38 93.02 46.14 -66.48 -44.19 3.61 0.02 96.37 0.47 0.38 2.64 95.82 0.64 0.02 0.01 0.01 67 L H H 27.36 18.26 20.47 38.17 91.91 48.62 -63.95 -42.14 1.95 0.01 98.04 0.36 0.23 1.23 97.72 0.43 0.01 0.00 0.01 68 G H H 29.39 5.75 22.83 29.04 91.76 50.95 -63.48 -42.52 2.84 0.02 97.14 0.50 0.27 1.90 96.62 0.67 0.01 0.01 0.01 69 D H H 58.95 7.55 22.74 30.74 92.27 48.65 -66.02 -41.04 3.45 0.03 96.52 0.65 0.37 2.32 95.66 0.96 0.02 0.01 0.01 70 L H H 12.03 20.35 18.07 38.41 91.97 49.72 -64.45 -43.03 3.95 0.07 95.98 0.81 0.51 2.63 94.64 1.32 0.03 0.03 0.02 71 M H H 44.89 16.40 18.95 34.82 92.42 49.24 -65.20 -40.52 8.16 0.11 91.72 1.32 0.95 6.02 89.85 1.70 0.06 0.06 0.04 72 S H H 61.96 5.32 21.02 26.44 94.39 50.35 -70.25 -37.53 20.03 0.13 79.84 1.83 1.84 16.54 77.68 1.89 0.09 0.05 0.08 73 R C H 123.95 6.39 20.28 26.97 99.59 37.35 -82.45 -37.34 50.39 0.14 49.47 1.31 4.30 43.25 49.04 1.87 0.07 0.05 0.11 74 N H H 55.83 12.46 19.94 32.02 101.53 25.26 -91.18 -33.64 47.46 0.15 52.39 2.01 3.30 40.43 52.64 1.42 0.06 0.05 0.10 75 F H H 16.47 21.92 17.87 39.16 93.51 50.17 -65.54 -44.31 4.45 0.04 95.51 1.06 0.56 2.67 94.90 0.77 0.01 0.02 0.01 76 I H H 43.62 13.48 20.03 33.71 91.68 50.49 -63.28 -42.71 1.43 0.03 98.55 0.36 0.15 0.89 97.96 0.61 0.00 0.01 0.00 77 D H H 73.95 3.44 23.38 26.30 91.92 49.78 -64.53 -41.06 1.10 0.03 98.88 0.26 0.12 0.70 98.14 0.75 0.00 0.02 0.00 78 A H H 13.65 12.18 17.84 31.89 91.64 50.56 -63.96 -42.31 1.42 0.04 98.54 0.21 0.19 1.09 97.91 0.56 0.01 0.02 0.01 79 I H H 17.15 17.89 14.76 33.10 92.31 49.03 -64.95 -42.11 3.58 0.39 96.03 0.44 0.40 3.06 94.92 0.61 0.29 0.20 0.09 80 I H H 90.69 6.13 16.73 23.71 93.06 47.20 -66.99 -40.45 7.02 0.36 92.62 0.82 0.80 5.46 91.13 1.15 0.31 0.21 0.13 81 K H H 144.04 1.73 16.58 18.19 92.20 50.08 -67.21 -34.42 14.14 0.13 85.73 0.99 1.32 11.63 84.74 1.13 0.07 0.06 0.06 82 E C T 90.72 7.97 13.17 22.40 97.35 41.02 -93.61 3.08 65.31 0.20 34.49 2.25 6.88 53.91 35.10 1.61 0.03 0.07 0.16 83 K C T 163.42 1.64 18.25 19.89 94.93 -123.85 56.32 42.07 97.78 0.19 2.03 13.16 4.87 79.92 1.44 0.44 0.00 0.10 0.07 84 I C C 29.68 19.61 9.69 28.42 118.46 161.65 -98.95 133.13 93.32 6.18 0.50 89.54 3.51 0.59 0.25 0.20 0.00 3.94 1.98 85 N C C 105.02 3.46 22.84 26.58 109.54 -145.50 -101.50 109.60 89.63 10.12 0.25 85.15 3.73 0.61 0.07 0.15 0.00 9.05 1.23 86 P C C 42.17 20.13 12.99 31.72 109.57 -146.41 -69.96 143.39 75.58 21.66 2.77 65.85 4.95 3.68 0.66 2.32 0.00 17.47 5.07 87 A C C 52.83 10.64 17.35 28.26 106.81 -132.66 -80.29 93.65 76.17 20.79 3.04 31.37 24.25 22.49 0.45 2.73 0.02 13.77 4.92 88 G C S 35.55 5.94 20.26 26.71 131.68 -23.84 137.46 -175.17 83.20 15.64 1.17 23.51 45.09 14.89 0.13 1.28 0.00 12.30 2.81 89 A C C 64.23 8.58 19.87 29.07 117.10 -69.56 -86.49 139.36 93.98 5.98 0.04 81.30 12.71 0.20 0.01 0.04 0.00 5.26 0.49 90 P C C 22.50 22.09 11.87 33.31 116.71 -111.50 -68.47 149.96 93.13 6.83 0.04 90.42 2.54 0.17 0.01 0.03 0.00 6.50 0.33 91 T E E 81.20 4.40 24.31 29.17 119.93 -137.74 -109.17 136.47 20.65 79.29 0.06 18.18 2.06 0.18 0.02 0.05 0.00 77.43 2.09 92 Y E E 64.86 20.69 12.40 32.01 119.35 -145.42 -101.69 131.51 7.31 92.66 0.03 6.85 0.50 0.03 0.01 0.01 0.00 90.57 2.02 93 V E E 66.61 6.89 20.23 28.13 118.53 -165.72 -117.55 124.51 18.34 81.63 0.03 17.32 0.92 0.08 0.01 0.02 0.00 81.08 0.57 94 P E E 79.38 8.70 15.89 25.55 114.17 -114.44 -67.75 143.81 34.99 64.67 0.34 28.82 5.31 1.06 0.06 0.28 0.00 63.75 0.71 95 G C C 29.83 8.48 15.96 25.43 135.70 152.03 -141.97 -175.42 58.76 40.37 0.87 41.10 15.51 2.97 0.14 0.81 0.00 37.92 1.56 96 E C C 136.13 2.73 18.88 22.34 119.45 -61.53 -103.83 136.06 64.90 34.06 1.04 54.13 8.46 1.76 0.26 0.93 0.00 31.62 2.83 97 Y C C 56.36 18.64 9.69 26.99 125.67 -171.17 -119.85 143.06 78.85 20.35 0.80 70.25 6.71 1.19 0.23 0.68 0.00 17.47 3.47 98 K C C 129.83 2.63 19.80 22.68 122.09 -155.93 -113.63 139.95 87.23 12.21 0.56 74.95 10.49 1.24 0.21 0.40 0.00 6.67 6.04 99 L C T 92.14 10.27 11.43 22.48 110.08 -97.00 -61.79 133.99 97.71 1.34 0.95 1.79 8.11 87.97 0.08 0.80 0.00 0.86 0.38 100 G C T 55.46 2.22 15.64 18.28 96.46 20.37 87.01 -6.42 99.17 0.32 0.51 2.19 8.23 88.75 0.03 0.50 0.00 0.24 0.06 101 E C S 97.90 5.47 14.43 21.44 123.97 105.60 -97.41 155.32 95.47 3.95 0.59 46.40 47.10 2.34 0.10 0.53 0.00 2.22 1.32 102 D C C 96.12 4.71 17.45 23.33 114.78 -103.74 -80.77 136.09 87.04 12.76 0.21 66.27 18.54 1.89 0.03 0.23 0.00 11.86 1.18 103 F E E 27.17 20.00 12.30 31.89 129.60 -166.43 -128.18 147.81 47.45 52.50 0.05 44.18 2.05 0.15 0.01 0.04 0.00 52.82 0.75 104 T E E 53.60 8.73 22.81 32.20 123.27 -155.88 -118.54 135.56 7.21 92.78 0.01 6.43 0.59 0.04 0.00 0.01 0.00 92.69 0.24 105 Y E E 19.64 22.17 16.12 38.13 127.67 -170.75 -123.77 141.93 2.12 97.87 0.01 1.91 0.17 0.02 0.00 0.00 0.00 97.85 0.05 106 S E E 32.65 10.19 24.66 35.51 126.19 -166.90 -122.52 139.71 1.26 98.72 0.01 1.16 0.07 0.01 0.00 0.00 0.00 98.74 0.02 107 V E E 8.39 23.52 16.77 40.52 124.99 -167.27 -123.55 136.02 1.14 98.85 0.01 1.12 0.03 0.00 0.00 0.00 0.00 98.82 0.02 108 E E E 75.50 8.45 25.55 34.44 120.80 -163.36 -115.22 129.86 1.28 98.71 0.01 1.25 0.04 0.00 0.00 0.00 0.00 98.67 0.04 109 F E E 15.16 23.10 15.22 38.20 130.45 -175.14 -129.33 147.03 3.63 96.34 0.02 3.48 0.14 0.02 0.00 0.01 0.00 96.26 0.09 110 E E E 83.50 7.47 24.24 32.04 119.26 -146.64 -105.64 134.81 8.42 91.53 0.04 7.66 0.52 0.06 0.01 0.03 0.00 91.44 0.28 111 V E E 29.58 19.20 15.69 34.67 117.68 -144.65 -99.37 130.29 27.18 72.68 0.14 25.09 1.55 0.19 0.05 0.09 0.00 70.07 2.95 112 Y C C 74.68 11.11 16.72 29.05 119.40 -150.98 -103.15 134.07 76.79 22.97 0.24 73.11 2.46 0.27 0.06 0.14 0.00 23.22 0.73 113 P C C 61.87 8.39 15.03 24.67 113.83 -107.47 -68.58 151.46 81.20 14.11 4.69 65.20 10.34 4.90 0.91 3.62 0.00 14.14 0.90 114 E C C 129.57 4.73 13.55 19.97 111.71 -105.58 -78.95 131.11 79.63 13.92 6.46 61.08 12.06 6.32 1.40 5.14 0.00 12.22 1.78 115 V C C 74.07 9.51 8.33 18.82 117.42 -157.59 -100.91 132.37 73.55 19.61 6.85 62.88 6.96 3.41 1.97 4.65 0.00 17.43 2.68 116 E C C 151.30 1.45 11.98 14.26 112.82 -134.82 -91.28 125.88 82.19 15.38 2.44 80.33 1.11 1.58 0.93 0.92 0.00 13.04 2.09 117 L C C 103.16 7.06 9.67 18.04 110.73 -143.92 -87.58 123.43 99.84 0.14 0.02 99.81 0.06 0.03 0.01 0.00 0.00 0.09 0.01