# 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 95.16 10.05 14.00 24.66 115.78 -151.50 -92.84 129.67 99.93 0.06 0.01 99.87 0.07 0.03 0.00 0.00 0.00 0.03 0.01 1 A C C 67.83 7.09 13.09 21.42 110.83 -126.07 -76.00 141.62 95.74 1.38 2.88 88.20 0.94 7.45 1.30 0.79 0.00 0.83 0.48 2 G C C 47.58 5.99 15.04 21.93 106.10 -75.07 58.91 17.33 93.20 3.21 3.59 57.46 20.89 15.17 1.51 1.85 0.00 1.85 1.26 3 V C C 42.12 14.31 12.19 26.93 118.72 63.74 -99.18 136.29 91.17 5.65 3.18 77.20 12.06 1.76 2.22 1.00 0.00 2.77 2.99 4 K C C 102.65 4.68 21.89 26.35 115.39 -124.27 -79.48 144.16 92.65 3.83 3.52 89.44 2.61 0.75 3.20 0.40 0.00 1.41 2.20 5 T H H 31.24 19.27 12.56 31.15 92.93 -120.74 -58.70 -39.03 7.34 0.05 92.61 1.97 1.18 4.23 88.78 3.78 0.01 0.02 0.02 6 F H H 114.26 4.65 19.18 24.51 91.79 54.67 -63.92 -38.26 4.33 0.02 95.66 0.49 0.44 3.25 90.91 4.88 0.01 0.01 0.01 7 E H H 95.58 4.13 20.24 24.51 92.09 50.99 -66.83 -38.72 2.91 0.02 97.07 0.41 0.31 2.08 91.28 5.88 0.01 0.01 0.01 8 L H H 7.43 22.72 12.28 34.84 91.78 52.12 -66.02 -38.44 3.38 0.02 96.61 0.43 0.34 2.38 90.34 6.49 0.00 0.01 0.01 9 R H H 97.12 13.66 16.17 29.56 91.24 58.77 -67.53 -24.95 26.02 0.03 73.95 0.58 0.81 25.02 69.35 4.17 0.02 0.01 0.02 10 T C T 108.06 1.19 19.47 19.03 94.90 52.38 -89.75 -6.51 60.58 0.04 39.38 1.26 2.14 57.15 35.85 3.53 0.01 0.01 0.04 11 K C S 56.52 13.74 9.26 23.34 121.01 101.27 -79.65 150.67 99.21 0.26 0.52 31.27 67.34 0.57 0.46 0.07 0.00 0.05 0.25 12 S C C 58.96 2.16 20.16 20.86 120.48 -109.93 -74.23 162.96 99.06 0.70 0.24 98.53 0.49 0.08 0.17 0.02 0.00 0.11 0.60 13 K H H 98.22 12.98 12.10 25.15 91.55 -104.66 -58.42 -38.86 1.21 0.00 98.79 0.15 0.15 0.78 98.59 0.33 0.00 0.00 0.00 14 E H H 137.73 1.21 18.65 18.55 91.40 52.72 -63.67 -40.11 0.69 0.00 99.31 0.05 0.05 0.53 98.96 0.41 0.00 0.00 0.00 15 Q H H 90.56 3.64 18.69 22.66 91.75 48.86 -65.32 -40.24 0.36 0.00 99.64 0.05 0.02 0.23 99.27 0.42 0.00 0.00 0.00 16 L H H 9.36 20.20 12.63 33.18 91.68 50.23 -63.44 -42.86 0.18 0.00 99.82 0.03 0.01 0.10 99.77 0.09 0.00 0.00 0.00 17 E H H 81.32 9.34 19.23 29.14 91.11 51.33 -62.70 -41.45 0.29 0.00 99.71 0.02 0.01 0.17 99.75 0.04 0.00 0.00 0.00 18 S H H 62.98 1.72 23.14 22.44 91.67 49.95 -64.19 -41.80 0.56 0.00 99.44 0.03 0.02 0.39 99.51 0.05 0.00 0.00 0.00 19 Q H H 53.93 10.64 20.11 31.43 91.96 49.15 -65.29 -41.35 0.46 0.00 99.54 0.05 0.02 0.27 99.62 0.04 0.00 0.00 0.00 20 L H H 12.10 20.77 15.94 36.78 91.64 51.02 -63.87 -42.39 0.26 0.00 99.74 0.03 0.01 0.14 99.78 0.03 0.00 0.00 0.00 21 V H H 73.33 4.08 22.61 26.61 91.41 50.41 -63.26 -41.82 0.12 0.00 99.88 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 22 E H H 100.20 2.64 23.38 24.86 91.57 49.70 -64.31 -41.78 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 23 L H H 15.45 17.74 17.20 35.49 91.58 49.93 -64.25 -42.00 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 24 K H H 79.36 13.36 19.70 32.53 91.44 52.04 -62.21 -41.54 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 25 Q H H 110.19 1.73 23.86 23.59 91.68 49.71 -64.45 -41.60 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 26 E H H 71.75 7.94 21.23 29.84 91.69 49.27 -65.08 -41.21 0.13 0.00 99.87 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 27 L H H 16.60 19.24 16.21 35.50 91.67 50.56 -63.89 -41.93 0.15 0.00 99.85 0.01 0.00 0.10 99.85 0.03 0.00 0.00 0.00 28 A H H 49.09 5.21 21.59 27.28 91.33 51.66 -63.08 -41.01 0.32 0.00 99.68 0.02 0.01 0.22 99.69 0.06 0.00 0.00 0.00 29 T H H 76.03 2.51 23.02 24.28 91.78 49.97 -65.26 -40.87 0.81 0.00 99.18 0.06 0.04 0.60 99.19 0.11 0.00 0.00 0.00 30 L H H 21.97 15.02 16.26 32.25 91.97 51.05 -64.52 -41.43 0.76 0.00 99.23 0.09 0.04 0.50 99.11 0.26 0.00 0.00 0.00 31 K H H 81.18 11.28 18.25 29.73 91.79 52.57 -63.28 -41.48 1.35 0.01 98.65 0.24 0.10 0.83 98.35 0.47 0.00 0.00 0.00 32 V H H 83.60 2.06 20.17 20.89 92.12 49.61 -64.71 -41.24 2.83 0.03 97.14 0.54 0.28 1.83 96.49 0.83 0.01 0.01 0.01 33 Q H H 70.18 5.31 16.19 22.99 92.39 50.31 -65.79 -39.38 6.33 0.08 93.60 1.64 0.76 3.79 92.48 1.24 0.02 0.03 0.03 34 K H H 67.10 12.37 11.98 24.82 92.66 53.83 -66.04 -36.92 12.68 0.15 87.17 3.45 1.46 7.55 85.27 2.11 0.02 0.07 0.07 35 L H H 110.58 3.45 14.30 18.73 92.91 52.42 -70.23 -31.73 20.50 0.18 79.33 3.75 2.59 13.82 77.72 1.92 0.04 0.08 0.09 36 Q C H 131.19 1.44 13.90 14.97 97.84 46.37 -84.81 -21.11 49.96 0.25 49.79 5.90 10.08 32.62 49.46 1.64 0.04 0.08 0.17 37 R C T 155.49 2.84 12.64 16.76 113.04 15.18 -126.31 93.95 95.08 0.25 4.68 32.32 28.34 34.41 3.73 0.94 0.00 0.09 0.18 38 P C C 81.37 6.47 10.82 19.02 105.41 -148.76 -69.92 117.96 98.29 0.26 1.46 81.05 10.10 7.28 0.60 0.69 0.00 0.12 0.16 39 S C C 63.30 5.62 13.81 20.59 106.08 62.54 -89.66 78.15 97.06 0.37 2.57 90.01 4.09 3.30 1.49 0.70 0.00 0.14 0.26 40 L C C 67.17 12.22 11.39 23.95 98.55 157.08 -78.12 -15.94 69.67 0.24 30.09 62.37 3.02 3.34 29.59 1.48 0.00 0.08 0.13 41 P H H 87.19 2.62 17.70 20.36 92.81 80.87 -63.48 -38.50 32.87 0.16 66.96 22.01 3.37 6.69 65.81 1.98 0.00 0.06 0.07 42 R H H 112.76 6.76 18.52 25.97 92.57 51.88 -66.85 -37.94 12.30 0.13 87.58 7.12 1.53 3.86 85.44 1.93 0.00 0.06 0.05 43 I H H 19.13 19.40 14.06 33.29 92.26 53.28 -64.58 -41.40 2.45 0.02 97.53 1.16 0.31 0.89 96.76 0.85 0.00 0.01 0.00 44 H H H 94.68 6.57 21.00 28.01 91.70 52.00 -63.34 -40.83 1.37 0.01 98.62 0.58 0.15 0.56 98.24 0.48 0.00 0.00 0.00 45 T H H 65.71 3.90 23.29 26.83 91.82 50.32 -64.43 -41.68 1.05 0.01 98.94 0.34 0.10 0.51 98.75 0.30 0.00 0.00 0.00 46 V H H 15.83 17.98 18.77 36.96 91.87 49.57 -64.27 -42.81 0.70 0.00 99.29 0.19 0.06 0.34 99.28 0.13 0.00 0.00 0.00 47 R H H 72.37 16.01 21.11 35.99 91.51 51.44 -62.54 -42.29 0.40 0.00 99.60 0.09 0.02 0.19 99.63 0.06 0.00 0.00 0.00 48 K H H 104.18 5.10 25.23 30.29 91.78 50.04 -64.25 -41.28 0.23 0.00 99.77 0.04 0.01 0.12 99.80 0.03 0.00 0.00 0.00 49 N H H 44.32 11.86 23.44 35.42 91.85 49.60 -65.28 -41.43 0.19 0.00 99.81 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 50 I H H 12.01 21.27 21.05 41.88 91.39 50.10 -64.11 -42.95 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 51 A H H 30.75 11.35 23.78 35.49 91.40 51.69 -63.24 -41.24 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 52 R H H 100.55 7.51 26.04 34.03 91.74 50.75 -64.34 -41.70 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 53 V H H 13.15 19.54 21.74 41.25 91.55 50.08 -64.01 -43.28 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.00 0.00 0.00 0.00 54 L H H 40.39 16.15 23.45 38.78 91.68 50.17 -63.89 -41.88 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 55 T H H 51.56 8.10 24.40 32.79 91.84 50.41 -64.82 -41.89 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 56 V H H 35.21 11.77 23.01 35.24 92.06 48.99 -64.81 -42.86 0.16 0.00 99.84 0.01 0.01 0.11 99.85 0.02 0.00 0.00 0.00 57 I H H 21.52 16.78 20.60 37.53 91.86 48.55 -64.31 -42.68 0.68 0.00 99.32 0.04 0.03 0.49 99.39 0.05 0.00 0.00 0.00 58 N H H 52.78 10.60 21.54 32.42 92.12 50.13 -64.77 -40.57 3.27 0.00 96.73 0.38 0.16 2.18 97.15 0.12 0.00 0.00 0.00 59 L H H 64.56 7.23 21.10 29.02 92.24 51.54 -64.41 -41.56 0.97 0.00 99.02 0.14 0.07 0.59 99.00 0.19 0.00 0.00 0.00 60 N H H 67.59 7.04 21.42 28.82 92.42 49.47 -65.49 -40.72 1.14 0.00 98.86 0.17 0.08 0.71 98.82 0.21 0.00 0.00 0.00 61 Q H H 57.29 10.61 18.66 30.03 92.17 50.39 -64.61 -41.30 1.04 0.00 98.96 0.18 0.07 0.62 98.90 0.22 0.00 0.00 0.00 62 R H H 96.83 9.84 18.67 28.89 92.19 50.82 -63.83 -41.20 0.63 0.00 99.37 0.10 0.04 0.37 99.31 0.17 0.00 0.00 0.00 63 E H H 98.47 4.01 20.25 24.20 91.89 50.15 -64.86 -40.70 0.48 0.00 99.52 0.06 0.03 0.31 99.45 0.16 0.00 0.00 0.00 64 N H H 77.61 4.43 19.59 24.44 92.44 49.33 -65.95 -39.95 0.82 0.00 99.18 0.08 0.04 0.56 99.07 0.24 0.00 0.00 0.00 65 V H H 35.53 11.69 15.51 28.35 92.10 50.19 -64.97 -41.48 0.96 0.00 99.04 0.10 0.06 0.67 98.70 0.47 0.00 0.00 0.00 66 R H H 107.53 8.37 16.21 25.54 92.06 52.00 -64.01 -40.07 0.81 0.00 99.19 0.07 0.04 0.59 98.13 1.16 0.00 0.00 0.00 67 A H H 65.43 2.63 17.78 20.02 92.29 51.75 -65.64 -38.27 2.28 0.00 97.72 0.11 0.10 1.98 94.70 3.11 0.00 0.00 0.00 68 F H H 112.78 4.91 16.11 21.84 93.00 50.09 -71.24 -30.54 7.67 0.01 92.33 0.16 0.27 7.50 89.82 2.23 0.01 0.00 0.00 69 Y H H 62.62 12.27 10.41 23.58 99.09 44.22 -102.21 3.04 40.96 0.12 58.92 2.00 2.71 35.41 57.29 2.40 0.05 0.04 0.11 70 A C T 70.35 5.38 10.14 17.76 109.66 123.84 -64.43 128.94 93.56 0.27 6.18 2.37 2.87 88.65 4.71 1.03 0.00 0.09 0.27 71 G C T 68.43 0.38 13.64 11.71 95.79 16.50 80.05 0.23 97.29 0.08 2.63 1.71 5.17 90.90 1.19 0.93 0.00 0.04 0.05 72 K C C 101.04 6.04 8.14 16.14 124.06 110.48 -98.03 153.09 95.28 0.67 4.05 50.66 36.41 7.77 1.14 3.01 0.00 0.20 0.81 73 K C S 176.37 0.68 12.97 12.90 95.23 -131.85 -74.13 -24.29 96.48 0.42 3.11 7.87 56.27 32.44 0.40 2.57 0.00 0.19 0.25 74 Y C S 130.29 4.93 12.47 19.02 122.08 41.00 -122.92 132.23 92.77 3.71 3.52 23.23 43.06 26.41 0.73 2.68 0.00 1.55 2.34 75 I C C 71.27 10.41 12.90 24.54 116.17 -144.00 -90.49 130.58 92.78 3.43 3.80 61.02 30.13 1.76 2.70 1.07 0.00 1.43 1.89 76 P C C 34.78 13.81 12.12 26.87 111.93 -110.10 -64.54 143.01 88.55 2.01 9.44 83.52 3.02 3.16 4.21 4.04 0.00 1.02 1.02 77 K C T 139.39 3.90 15.87 21.11 95.21 -140.89 -68.36 -26.41 67.37 1.15 31.48 24.87 17.37 25.86 11.62 18.96 0.01 0.51 0.80 78 D C C 97.12 3.93 16.23 20.97 99.63 53.46 -88.08 19.61 64.63 1.40 33.98 26.73 12.99 25.57 13.53 19.65 0.02 0.64 0.88 79 L C C 48.93 16.09 10.95 26.32 102.40 110.33 -82.80 6.04 64.19 1.54 34.26 40.08 12.72 11.08 18.27 16.24 0.01 0.69 0.91 80 R C C 107.08 9.39 14.43 24.62 115.52 107.68 -89.52 136.37 70.34 1.31 28.34 49.14 13.20 7.89 22.75 5.71 0.00 0.54 0.77 81 A C C 50.48 8.34 13.90 23.57 111.41 -112.68 -69.30 149.41 59.56 0.93 39.50 42.09 9.38 7.86 34.97 4.83 0.00 0.41 0.45 82 K H H 132.13 4.79 14.54 20.65 96.21 -112.30 -66.37 -31.97 42.35 0.73 56.92 25.42 8.70 9.10 50.95 5.16 0.01 0.33 0.33 83 K H H 120.64 4.98 16.14 21.93 95.64 57.18 -73.15 -25.69 38.30 0.73 60.97 23.84 7.16 8.05 56.18 4.12 0.01 0.33 0.30 84 T H H 34.67 12.52 13.26 26.54 97.89 59.49 -73.25 -35.02 30.01 0.52 69.47 20.95 4.51 4.90 66.78 2.44 0.00 0.22 0.20 85 R H H 106.31 7.54 16.41 24.87 93.43 61.85 -64.51 -40.42 6.67 0.10 93.22 3.49 1.28 2.25 91.23 1.65 0.01 0.05 0.03 86 A H H 45.60 4.47 17.19 22.81 92.29 52.25 -64.19 -41.16 3.72 0.06 96.22 1.42 0.57 1.77 94.08 2.10 0.01 0.04 0.01 87 L H H 55.21 9.93 15.77 26.82 92.41 50.26 -65.57 -40.35 2.89 0.04 97.07 0.87 0.38 1.55 94.12 3.05 0.00 0.03 0.01 88 R H H 83.97 13.17 14.25 27.55 91.82 53.19 -65.13 -36.79 4.37 0.04 95.59 0.84 0.49 2.80 91.63 4.20 0.01 0.02 0.01 89 R H H 147.71 3.59 17.24 21.69 92.14 56.09 -70.70 -23.94 19.64 0.07 80.29 1.37 1.46 16.46 76.27 4.33 0.04 0.03 0.04 90 K H H 130.34 3.37 16.78 20.60 95.36 58.61 -84.97 -6.59 48.06 0.26 51.68 5.03 5.16 37.00 47.91 4.55 0.05 0.11 0.19 91 L C C 37.48 17.67 7.88 24.33 116.22 104.92 -77.48 140.51 91.22 1.59 7.19 58.54 29.37 2.62 6.75 0.79 0.00 0.34 1.58 92 T C C 64.68 3.69 15.35 19.88 121.81 -127.53 -81.47 164.62 95.05 0.64 4.31 91.52 2.36 0.92 4.28 0.27 0.00 0.17 0.48 93 K H H 152.67 2.03 13.55 16.85 91.85 -102.78 -58.42 -37.53 9.33 0.08 90.59 2.13 1.98 5.60 86.13 4.06 0.02 0.03 0.04 94 F H H 130.27 2.56 14.65 17.89 92.48 53.52 -65.40 -39.16 7.99 0.05 91.96 1.26 1.15 5.58 86.34 5.59 0.02 0.03 0.02 95 E H H 65.14 10.76 12.35 24.04 92.65 49.71 -67.23 -37.67 6.14 0.04 93.81 1.25 0.81 3.84 86.91 7.13 0.01 0.03 0.01 96 A H H 46.86 9.45 12.44 23.16 92.12 56.42 -66.95 -30.41 12.25 0.07 87.68 1.91 1.57 8.34 83.09 5.00 0.03 0.03 0.03 97 S H H 78.63 2.24 16.17 18.50 94.14 55.68 -84.23 -9.13 49.24 0.34 50.42 8.36 5.59 34.90 46.71 4.04 0.04 0.14 0.23 98 Q C C 86.46 8.26 11.07 20.73 112.45 101.52 -78.11 131.87 73.85 1.58 24.57 48.62 14.00 9.43 24.18 2.28 0.00 0.64 0.85 99 E C C 105.03 7.51 11.77 20.65 116.47 -155.11 -94.91 135.27 80.87 1.51 17.62 64.66 9.60 4.16 18.92 1.31 0.00 0.65 0.70 100 T C C 59.82 4.98 12.91 19.46 120.63 -134.76 -86.14 162.62 79.77 1.23 19.00 68.65 6.14 2.75 20.46 0.98 0.00 0.46 0.56 101 E H H 129.06 2.90 13.71 17.83 92.62 -108.56 -60.93 -38.34 6.53 0.07 93.41 3.12 1.31 2.14 92.42 0.96 0.00 0.02 0.02 102 K H H 121.66 2.77 14.67 18.30 92.09 52.29 -64.69 -40.27 3.96 0.04 96.00 1.45 0.59 1.84 95.00 1.09 0.00 0.02 0.01 103 A H H 33.33 6.92 12.74 21.94 91.94 50.66 -64.93 -40.64 2.69 0.04 97.27 1.08 0.37 1.21 96.18 1.12 0.00 0.02 0.01 104 R H H 113.05 4.33 15.02 20.62 91.97 51.44 -64.24 -41.04 2.17 0.03 97.79 0.85 0.30 0.97 97.16 0.70 0.00 0.02 0.01 105 K H H 106.51 3.29 15.42 19.48 92.02 50.18 -65.21 -40.03 2.59 0.04 97.37 0.92 0.32 1.27 96.80 0.66 0.00 0.02 0.01 106 Q H H 85.61 6.61 13.97 21.95 92.33 51.08 -66.43 -38.41 3.32 0.03 96.64 1.02 0.40 1.79 95.88 0.89 0.00 0.02 0.01 107 R H H 133.60 5.32 14.95 21.47 93.32 50.39 -68.05 -35.87 6.40 0.04 93.55 1.24 0.72 4.22 92.49 1.28 0.01 0.02 0.02 108 I H H 104.27 3.14 16.13 19.54 96.91 43.07 -77.36 -35.12 15.50 0.07 84.42 1.92 1.85 11.45 83.40 1.30 0.02 0.03 0.04 109 A H H 55.44 6.12 14.70 21.83 98.38 43.44 -81.31 -27.47 33.10 0.22 66.68 5.26 6.63 21.92 64.40 1.51 0.05 0.06 0.16 110 F C C 73.84 11.89 11.28 23.75 111.42 44.83 -109.62 91.79 82.61 0.65 16.74 44.16 29.83 8.97 10.44 5.83 0.00 0.22 0.54 111 P C C 70.83 6.56 13.98 22.06 108.28 -155.90 -68.87 140.92 77.77 0.64 21.59 42.86 11.35 23.27 8.50 13.31 0.00 0.30 0.40 112 Q C C 118.12 4.93 13.90 20.20 109.87 -110.12 -86.36 115.69 73.37 2.28 24.35 40.49 12.35 20.57 9.82 14.44 0.01 1.09 1.23 113 R C C 115.01 10.25 10.43 21.35 114.96 -154.57 -90.51 129.98 79.73 2.55 17.72 59.44 12.24 7.95 9.31 8.51 0.00 1.38 1.17 114 K C C 146.10 3.08 14.68 18.77 101.78 -147.07 -83.44 -15.65 79.45 3.52 17.03 50.04 17.25 12.27 9.27 7.78 0.01 2.09 1.29 115 F C C 105.17 8.32 12.24 21.61 114.15 47.99 -107.28 113.61 75.32 8.35 16.33 48.84 14.19 12.43 8.78 7.58 0.02 5.76 2.40 116 A C C 54.50 9.52 11.34 21.82 116.82 -154.04 -98.55 135.74 73.68 13.18 13.14 55.69 10.75 6.96 7.78 5.53 0.01 10.62 2.66 117 I C C 97.89 7.11 10.69 19.33 116.65 -148.37 -100.38 130.88 71.11 17.51 11.38 54.29 8.96 7.04 7.55 4.27 0.01 14.29 3.58 118 K C C 147.32 2.95 11.39 16.31 115.57 -139.40 -93.78 133.43 84.25 9.74 6.01 78.49 1.48 4.95 3.70 1.58 0.00 7.66 2.14 119 A C C 69.68 7.11 11.02 19.47 113.03 -127.35 -83.58 137.49 99.89 0.09 0.02 99.82 0.07 0.04 0.01 0.00 0.00 0.05 0.01