# 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 109.72 6.61 11.39 19.32 115.57 -162.47 -93.20 131.23 99.95 0.03 0.01 99.88 0.07 0.03 0.00 0.00 0.00 0.01 0.01 1 N C C 112.44 3.26 10.91 15.73 110.33 -155.35 -93.30 109.97 96.37 1.29 2.34 91.75 1.25 3.87 1.21 0.63 0.00 0.56 0.73 2 T C C 85.11 5.46 9.45 16.47 110.15 117.53 -90.38 109.98 90.69 2.90 6.40 62.63 19.43 8.70 3.40 2.87 0.00 1.45 1.52 3 D C C 90.78 3.63 12.71 17.55 109.24 -120.66 -86.33 111.49 83.69 5.48 10.83 67.42 10.28 5.28 6.97 4.07 0.00 2.48 3.49 4 I C C 72.61 12.21 9.54 21.71 96.74 80.39 -77.30 -18.88 49.67 1.72 48.61 28.01 8.93 12.95 21.37 27.06 0.01 1.01 0.66 5 T H G 87.58 4.22 13.05 18.82 94.97 69.73 -70.32 -26.57 46.50 1.27 52.23 20.07 9.32 16.73 23.92 28.70 0.03 0.68 0.56 6 A H G 73.87 2.84 13.61 17.27 95.48 61.49 -75.49 -16.87 47.81 1.14 51.05 25.13 9.78 12.57 22.51 28.91 0.01 0.57 0.52 7 L C C 78.15 10.27 9.50 20.23 104.17 78.86 -82.10 27.27 66.84 1.82 31.34 45.27 12.75 8.94 19.85 11.29 0.01 0.79 1.11 8 E C C 121.34 4.88 12.96 19.30 109.53 94.81 -85.83 101.31 82.56 2.79 14.66 61.97 13.78 6.31 10.79 4.06 0.00 1.19 1.89 9 K C C 145.94 3.52 13.96 19.25 111.81 -132.15 -91.49 117.22 92.60 1.80 5.61 75.89 12.50 3.97 3.74 1.80 0.00 0.76 1.36 10 A C C 39.64 13.73 8.17 21.60 118.49 -132.42 -76.29 152.51 97.65 1.14 1.21 91.99 4.51 1.30 0.59 0.40 0.00 0.45 0.75 11 Q C S 146.82 1.37 16.28 17.20 94.03 -127.49 -70.90 -23.28 99.42 0.37 0.21 24.22 73.68 1.65 0.06 0.09 0.00 0.15 0.16 12 Y C S 82.80 11.74 11.36 23.92 120.12 43.40 -116.51 127.99 99.40 0.53 0.07 9.00 90.03 0.58 0.01 0.02 0.00 0.20 0.15 13 P C C 72.22 5.96 18.85 25.46 113.58 -109.99 -66.90 147.17 97.74 1.93 0.33 87.75 9.06 1.02 0.09 0.23 0.00 1.26 0.60 14 V C C 54.18 16.99 12.64 29.02 112.02 -116.83 -77.91 127.44 66.27 33.17 0.57 61.80 2.80 0.51 0.30 0.27 0.00 19.57 14.75 15 V C C 68.63 9.84 17.10 27.78 98.69 -170.54 -86.71 -29.92 71.03 28.21 0.76 46.07 24.43 1.61 0.31 0.54 0.00 20.45 6.57 16 D C C 52.19 11.01 14.51 26.58 128.24 21.81 -131.75 135.43 71.64 27.60 0.76 55.75 13.93 1.77 0.31 0.54 0.00 20.71 7.00 17 R C S 156.57 5.32 16.23 23.34 96.26 -161.61 -78.59 -20.70 95.39 4.39 0.22 12.28 76.82 6.51 0.04 0.15 0.00 3.68 0.52 18 N C S 105.17 3.66 18.40 22.74 104.99 41.94 -115.90 69.46 98.75 1.18 0.06 6.35 89.90 2.79 0.01 0.04 0.00 0.71 0.20 19 P C C 21.33 19.16 11.00 29.93 116.59 -161.90 -70.33 147.01 99.06 0.79 0.15 92.92 5.85 0.40 0.06 0.06 0.00 0.39 0.32 20 A C C 50.78 4.06 22.53 26.21 120.93 -122.38 -77.35 159.79 90.70 8.18 1.12 85.06 2.74 0.28 1.02 0.11 0.00 1.19 9.59 21 F H H 66.45 17.97 13.35 30.75 91.12 -108.59 -57.93 -38.13 3.79 0.01 96.20 0.54 0.54 2.57 95.17 1.16 0.01 0.00 0.01 22 T H H 93.51 2.91 19.60 23.02 91.26 54.72 -63.99 -38.80 1.82 0.00 98.17 0.18 0.14 1.37 97.19 1.11 0.00 0.00 0.00 23 K H H 99.14 5.67 20.35 26.47 91.96 49.20 -66.95 -39.63 0.76 0.00 99.23 0.09 0.06 0.53 98.20 1.12 0.00 0.00 0.00 24 V H H 4.41 24.40 14.24 38.75 92.03 49.13 -65.00 -43.70 0.81 0.00 99.19 0.09 0.06 0.56 98.36 0.92 0.00 0.00 0.00 25 V H H 41.36 16.53 18.14 34.19 91.38 50.42 -63.51 -38.85 1.53 0.00 98.46 0.09 0.08 1.27 95.73 2.81 0.00 0.00 0.00 26 G H H 49.16 2.81 22.57 25.18 91.27 57.41 -68.34 -23.91 16.31 0.00 83.69 0.18 0.29 17.10 79.48 2.93 0.01 0.00 0.00 27 N C T 59.79 11.71 18.86 31.19 97.13 49.39 -96.84 -4.39 50.44 0.03 49.53 0.97 1.47 48.28 46.05 3.18 0.01 0.01 0.03 28 F C C 18.39 24.14 11.37 35.00 117.40 99.80 -81.90 137.63 95.91 3.30 0.79 60.89 33.40 0.60 0.70 0.11 0.00 0.48 3.83 29 S C C 44.57 6.53 22.26 29.00 128.33 -157.09 -102.07 168.99 99.59 0.35 0.06 99.28 0.38 0.03 0.04 0.00 0.00 0.08 0.19 30 T H H 85.85 6.96 17.27 25.28 91.05 -96.05 -59.79 -36.27 0.75 0.00 99.25 0.05 0.06 0.55 99.11 0.23 0.00 0.00 0.00 31 L H H 94.29 3.29 21.01 24.18 91.50 54.01 -64.38 -40.67 0.27 0.00 99.73 0.01 0.01 0.22 99.49 0.27 0.00 0.00 0.00 32 D H H 16.33 18.03 16.64 35.05 92.05 49.84 -64.93 -41.58 0.09 0.00 99.91 0.01 0.00 0.06 99.70 0.23 0.00 0.00 0.00 33 Y H H 49.58 17.96 18.37 35.59 91.51 50.37 -63.39 -42.31 0.04 0.00 99.96 0.00 0.00 0.03 99.91 0.05 0.00 0.00 0.00 34 L H H 83.48 5.30 23.11 28.18 91.57 49.97 -64.07 -42.04 0.12 0.00 99.88 0.01 0.00 0.10 99.85 0.05 0.00 0.00 0.00 35 R H H 103.78 7.26 23.58 30.90 91.93 48.78 -64.79 -41.64 0.46 0.00 99.54 0.01 0.01 0.43 99.45 0.10 0.00 0.00 0.00 36 F H H 21.83 20.46 19.21 39.16 91.80 49.51 -64.99 -42.03 1.08 0.00 98.92 0.04 0.04 0.95 98.75 0.22 0.00 0.00 0.00 37 S H H 29.71 15.66 21.05 36.07 91.51 50.97 -63.70 -41.87 3.39 0.00 96.61 0.13 0.15 2.97 96.06 0.69 0.01 0.00 0.00 38 T H H 72.72 4.30 25.32 29.20 92.30 49.41 -65.36 -41.20 5.84 0.01 94.15 0.22 0.28 5.28 92.64 1.55 0.02 0.00 0.01 39 I H H 59.85 10.37 23.75 34.09 92.22 48.08 -65.97 -41.92 5.14 0.03 94.84 0.38 0.39 4.29 91.67 3.22 0.03 0.01 0.01 40 T H H 11.18 22.21 18.88 40.39 92.28 49.82 -65.79 -40.90 8.12 0.03 91.85 0.48 0.44 7.03 86.99 4.99 0.03 0.02 0.02 41 G H H 26.31 12.80 22.05 34.39 92.11 52.39 -65.45 -38.19 20.78 0.05 79.17 0.76 0.94 18.59 74.83 4.77 0.04 0.02 0.03 42 I H H 94.85 3.97 25.71 29.37 92.95 50.50 -70.25 -35.11 18.58 0.09 81.33 1.29 1.58 15.59 78.95 2.44 0.06 0.04 0.05 43 S H H 23.89 14.56 20.61 35.19 92.27 56.09 -64.99 -40.22 6.61 0.05 93.34 2.03 1.01 3.32 92.09 1.51 0.01 0.02 0.02 44 V H H 24.43 19.59 18.48 37.30 91.88 52.90 -64.02 -41.72 2.61 0.02 97.37 0.67 0.29 1.51 96.03 1.48 0.00 0.01 0.01 45 T H H 65.95 5.86 22.90 28.93 91.66 50.99 -63.34 -41.49 1.30 0.01 98.69 0.27 0.12 0.80 97.47 1.34 0.00 0.01 0.00 46 V H H 73.24 4.26 22.54 26.60 91.89 49.72 -64.48 -41.33 1.15 0.00 98.84 0.16 0.09 0.80 97.55 1.39 0.00 0.00 0.00 47 G H H 8.28 16.52 14.62 31.85 91.70 51.39 -64.24 -41.51 2.41 0.01 97.58 0.25 0.18 1.83 96.07 1.65 0.01 0.00 0.00 48 Y H H 98.68 11.39 15.89 27.52 92.00 51.16 -65.19 -39.44 5.91 0.03 94.06 0.58 0.48 4.76 91.60 2.52 0.03 0.01 0.02 49 L H H 123.72 1.96 17.42 19.36 92.33 52.28 -69.64 -26.07 13.67 0.06 86.27 1.09 1.22 11.41 83.54 2.64 0.05 0.02 0.04 50 S C T 65.89 5.06 14.01 20.25 95.26 57.05 -84.09 -5.92 56.09 0.22 43.68 2.90 5.49 46.00 42.48 2.81 0.05 0.08 0.19 51 G C T 52.98 2.86 16.41 19.98 99.75 -107.91 82.20 17.04 92.71 0.27 7.02 20.62 7.62 64.57 5.57 1.34 0.00 0.12 0.16 52 I C C 58.57 14.19 9.57 23.67 115.02 158.37 -85.25 133.69 94.32 2.04 3.65 72.06 16.87 4.79 2.36 1.24 0.00 0.72 1.97 53 K C C 127.74 3.90 16.57 21.66 117.25 -144.86 -93.75 135.29 97.60 1.24 1.15 80.60 14.30 2.50 0.52 0.57 0.00 0.49 1.01 54 P C T 84.26 8.41 12.87 22.37 107.98 -102.91 -64.42 139.42 92.23 0.76 7.01 20.84 17.70 53.74 1.71 5.17 0.00 0.38 0.46 55 G C T 53.56 3.12 15.52 19.51 107.07 36.14 82.86 -14.02 91.46 0.76 7.77 19.24 19.62 52.69 1.96 5.63 0.00 0.37 0.49 56 I C C 92.15 7.76 12.70 21.55 106.24 69.69 -91.56 27.16 87.05 2.20 10.74 41.88 27.04 18.32 4.00 6.16 0.00 0.83 1.76 57 K C C 114.78 7.65 14.68 23.35 109.92 64.10 -86.20 120.17 81.35 1.71 16.94 51.64 21.21 8.07 14.11 3.04 0.00 0.53 1.39 58 G H H 34.82 7.30 17.67 25.52 107.81 34.70 0.59 -112.81 36.65 0.29 63.06 17.02 11.93 8.28 60.26 2.24 0.01 0.09 0.17 59 P H H 73.97 5.11 19.86 25.18 94.03 33.88 -66.12 -36.17 14.17 0.14 85.69 6.88 1.99 5.55 82.93 2.52 0.01 0.06 0.06 60 S H H 26.09 14.47 17.77 32.35 92.62 52.73 -65.46 -39.88 5.24 0.08 94.68 2.48 0.63 2.18 92.13 2.51 0.00 0.04 0.02 61 M H H 46.62 17.52 18.98 35.36 92.66 51.65 -64.56 -41.07 2.39 0.05 97.56 1.04 0.27 1.04 95.93 1.67 0.00 0.03 0.01 62 V H H 77.69 6.08 24.83 31.22 92.08 49.94 -64.73 -41.78 2.04 0.04 97.92 0.73 0.24 1.01 97.22 0.76 0.00 0.02 0.01 63 T H H 56.94 6.99 25.75 32.72 91.52 48.29 -64.37 -42.15 1.32 0.02 98.67 0.42 0.13 0.65 98.51 0.27 0.00 0.01 0.00 64 G H H 5.66 20.19 19.88 39.91 91.67 50.79 -63.75 -42.48 0.65 0.00 99.35 0.15 0.05 0.34 99.31 0.15 0.00 0.00 0.00 65 G H H 15.75 16.29 22.47 38.13 91.57 50.99 -63.42 -42.00 0.42 0.00 99.57 0.07 0.02 0.26 99.49 0.15 0.00 0.00 0.00 66 L H H 84.97 4.76 27.64 32.72 91.60 49.49 -64.33 -42.04 0.41 0.00 99.59 0.05 0.02 0.28 99.47 0.18 0.00 0.00 0.00 67 I H H 55.13 11.23 26.09 37.29 91.68 48.76 -64.77 -42.09 0.44 0.00 99.55 0.07 0.03 0.29 99.45 0.16 0.00 0.00 0.00 68 G H H 5.27 22.23 20.76 42.37 91.73 51.50 -63.32 -42.78 0.69 0.00 99.31 0.11 0.05 0.46 99.11 0.28 0.00 0.00 0.00 69 L H H 61.13 12.72 26.16 38.60 91.62 49.18 -63.84 -41.94 0.85 0.01 99.14 0.09 0.05 0.64 98.79 0.41 0.00 0.01 0.00 70 M H H 83.73 6.25 28.44 35.11 91.48 49.14 -64.21 -41.91 0.80 0.00 99.20 0.11 0.06 0.57 99.05 0.21 0.00 0.00 0.00 71 G H H 10.23 15.88 24.14 40.04 91.42 51.14 -63.39 -42.71 0.61 0.00 99.39 0.07 0.03 0.42 99.37 0.10 0.00 0.00 0.00 72 G H H 8.02 19.51 22.70 41.69 91.47 51.10 -63.87 -42.11 0.53 0.00 99.47 0.05 0.02 0.38 99.46 0.08 0.00 0.00 0.00 73 F H H 74.97 11.51 26.22 37.72 91.68 50.19 -64.02 -42.20 0.17 0.00 99.83 0.01 0.01 0.11 99.82 0.04 0.00 0.00 0.00 74 M H H 67.03 9.89 26.57 36.22 91.46 49.94 -63.85 -42.37 0.10 0.00 99.90 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 75 Y H H 46.54 16.74 24.34 40.30 91.82 49.24 -64.57 -42.07 0.09 0.00 99.91 0.00 0.00 0.06 99.90 0.03 0.00 0.00 0.00 76 A H H 18.57 17.77 22.31 39.50 91.60 50.97 -63.63 -41.81 0.11 0.00 99.89 0.00 0.00 0.08 99.87 0.04 0.00 0.00 0.00 77 Y H H 93.77 9.15 25.64 34.71 91.74 49.53 -64.88 -41.96 0.40 0.00 99.60 0.02 0.01 0.33 99.55 0.09 0.00 0.00 0.00 78 Q H H 60.66 11.15 24.70 35.60 91.89 49.82 -64.89 -41.23 0.94 0.00 99.06 0.06 0.05 0.75 99.01 0.13 0.00 0.00 0.00 79 N H H 34.11 16.33 22.17 37.97 92.00 49.14 -65.62 -40.78 2.08 0.00 97.92 0.21 0.18 1.52 97.78 0.32 0.00 0.00 0.00 80 S H H 30.08 12.36 21.99 34.64 91.84 51.79 -64.22 -40.86 3.69 0.01 96.30 0.48 0.37 2.59 95.75 0.79 0.01 0.00 0.01 81 A H H 39.95 7.34 22.80 30.33 91.43 50.66 -64.62 -40.62 4.02 0.01 95.97 0.43 0.42 2.92 94.93 1.28 0.01 0.00 0.01 82 G H H 13.40 11.34 18.47 31.30 91.62 51.50 -64.89 -40.00 6.07 0.03 93.91 0.68 0.59 4.41 91.58 2.68 0.03 0.01 0.01 83 R H H 73.04 13.63 16.47 30.11 92.02 51.54 -65.06 -40.55 5.17 0.03 94.80 0.51 0.47 3.87 89.53 5.54 0.05 0.01 0.01 84 L H H 90.41 7.77 17.70 25.97 91.44 52.13 -68.01 -30.87 10.29 0.03 89.68 0.41 0.55 9.45 84.98 4.52 0.05 0.01 0.02 85 M C T 109.68 3.99 16.74 21.14 92.84 50.60 -88.01 -4.51 64.01 0.13 35.86 0.84 2.83 60.24 32.02 3.84 0.04 0.05 0.15 86 G C T 40.87 6.66 14.08 22.02 99.57 -108.50 83.18 14.59 99.56 0.06 0.39 3.14 5.23 91.30 0.16 0.12 0.00 0.03 0.03 87 F C S 118.88 5.50 13.87 20.73 97.11 124.90 -83.38 -16.89 98.92 0.78 0.30 32.72 63.47 2.83 0.10 0.16 0.00 0.32 0.39 88 F C S 111.54 4.75 15.72 21.80 127.90 32.54 -133.93 145.54 98.39 1.50 0.11 16.54 81.48 0.69 0.04 0.04 0.00 0.59 0.61 89 P C C 77.53 7.51 14.41 23.08 113.62 -101.88 -65.98 144.84 98.79 0.97 0.24 90.51 7.37 0.94 0.11 0.10 0.00 0.40 0.58 90 N C C 51.81 13.20 10.54 24.19 107.71 -134.74 -90.93 105.76 97.90 0.57 1.53 95.17 1.93 0.86 1.16 0.20 0.00 0.15 0.54 91 D H H 110.06 2.17 15.27 18.38 94.08 -152.56 -64.16 -33.80 9.79 0.05 90.16 3.14 1.99 4.73 87.55 2.53 0.01 0.02 0.03 92 G H H 42.63 2.04 15.23 17.23 93.01 53.07 -65.40 -39.26 6.99 0.04 92.97 1.24 0.96 4.58 89.77 3.40 0.01 0.02 0.02 93 E H H 55.89 9.21 11.89 22.67 92.93 50.59 -66.63 -39.44 4.27 0.06 95.68 1.36 0.57 2.30 92.20 3.51 0.01 0.04 0.01 94 V H H 52.55 7.94 11.55 21.22 92.43 51.47 -64.89 -40.60 4.00 0.06 95.94 1.52 0.58 1.91 93.29 2.64 0.00 0.04 0.02 95 A H H 67.89 1.63 14.20 15.55 92.61 53.15 -64.96 -38.54 9.34 0.08 90.58 2.05 0.96 6.06 86.48 4.36 0.02 0.05 0.03 96 S H H 74.43 2.14 12.25 15.13 93.87 53.66 -70.04 -29.39 26.69 0.09 73.22 2.69 1.82 21.62 69.48 4.28 0.02 0.04 0.05 97 Y H H 117.98 7.21 8.42 16.68 99.85 52.65 -88.85 -0.16 49.31 0.49 50.20 11.19 6.06 32.52 45.68 3.99 0.04 0.19 0.33 98 Q C C 126.68 3.15 8.79 13.79 105.89 91.59 -81.57 83.04 81.42 0.82 17.77 59.63 1.60 18.93 17.35 1.58 0.00 0.33 0.57 99 K C C 152.75 2.31 11.73 15.49 107.11 -143.56 -84.28 93.78 99.94 0.03 0.03 99.85 0.06 0.06 0.02 0.00 0.00 0.01 0.00