# 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 100.26 8.35 12.85 22.16 112.79 -147.51 -90.41 124.21 99.84 0.05 0.11 99.74 0.08 0.07 0.07 0.00 0.00 0.02 0.01 1 N C C 84.21 7.00 11.37 19.75 113.28 -156.12 -89.59 130.68 79.45 0.45 20.10 74.60 0.67 3.06 20.73 0.57 0.00 0.16 0.21 2 K H H 128.49 3.62 13.76 18.47 99.44 -143.18 -69.68 -21.57 42.23 0.73 57.05 31.27 4.60 5.34 57.00 1.20 0.00 0.28 0.30 3 L H H 70.47 7.71 14.69 23.81 94.05 59.44 -65.38 -39.35 9.93 0.25 89.82 6.09 1.53 2.74 88.31 1.13 0.00 0.13 0.08 4 I H H 35.78 15.35 13.42 28.98 92.71 51.03 -65.58 -40.52 3.91 0.15 95.94 2.32 0.56 1.29 94.66 1.04 0.00 0.09 0.04 5 D H H 69.09 5.92 16.55 23.68 92.01 52.38 -64.22 -40.45 2.72 0.12 97.16 1.54 0.36 0.97 96.09 0.92 0.00 0.08 0.03 6 E H H 101.25 2.70 18.61 21.03 92.67 50.62 -65.48 -40.69 2.83 0.13 97.03 1.28 0.38 1.27 96.10 0.84 0.01 0.09 0.03 7 I H H 44.07 10.14 16.03 27.65 92.95 49.30 -66.21 -41.76 4.19 0.18 95.64 1.63 0.58 2.11 94.56 0.95 0.01 0.11 0.05 8 T H H 31.59 14.88 14.13 29.18 92.82 49.70 -66.72 -39.26 7.75 0.18 92.07 2.77 1.01 4.10 90.73 1.20 0.02 0.09 0.08 9 K H H 128.11 4.35 17.16 22.75 92.62 52.49 -65.27 -37.29 12.15 0.14 87.71 2.46 1.41 8.26 83.10 4.59 0.04 0.07 0.07 10 S H H 79.46 2.24 17.80 19.88 94.45 49.03 -75.08 -24.49 27.46 0.11 72.43 2.46 2.23 22.43 68.32 4.40 0.04 0.05 0.07 11 Q C H 76.90 11.04 15.00 26.44 98.65 47.16 -95.85 -6.72 50.91 0.41 48.68 8.32 6.27 36.09 44.25 4.58 0.05 0.16 0.28 12 L C C 48.68 17.76 11.05 27.86 114.99 100.46 -80.41 136.49 89.23 1.98 8.79 53.76 29.89 5.34 6.89 1.85 0.00 0.57 1.69 13 N C C 68.30 8.92 14.63 24.89 111.50 -139.17 -91.71 118.56 94.69 1.26 4.04 87.92 4.04 3.13 1.53 2.00 0.00 0.55 0.81 14 P C T 103.23 4.90 14.02 20.68 96.25 -159.54 -74.21 -16.36 94.72 0.98 4.30 31.79 22.19 40.32 0.47 4.34 0.00 0.51 0.39 15 D C T 114.92 1.79 17.50 19.08 97.72 63.47 -88.31 11.62 96.51 0.87 2.62 38.11 19.66 38.18 0.22 3.04 0.00 0.48 0.31 16 V C C 35.25 19.08 9.85 27.89 116.66 114.53 -85.32 134.66 98.94 0.94 0.13 59.05 39.61 0.33 0.03 0.08 0.00 0.28 0.62 17 P C C 45.35 10.27 17.35 28.88 115.70 -106.15 -66.37 152.33 99.70 0.22 0.08 94.90 3.34 1.49 0.01 0.07 0.00 0.10 0.08 18 N C C 101.70 6.07 21.64 28.61 111.71 -109.51 -79.03 130.51 98.99 0.94 0.08 87.94 9.12 1.90 0.01 0.11 0.00 0.32 0.60 19 F C C 15.45 24.11 11.29 34.96 124.32 -159.50 -111.61 143.22 94.47 5.50 0.03 91.56 2.34 0.06 0.01 0.01 0.00 0.89 5.13 20 R C C 124.35 3.70 24.59 28.51 128.64 -160.53 -118.44 155.55 99.86 0.14 0.00 99.58 0.31 0.01 0.00 0.00 0.00 0.03 0.06 21 P C T 68.01 12.24 15.28 27.98 110.79 -82.15 -59.28 137.05 99.85 0.07 0.08 0.11 1.05 98.74 0.00 0.04 0.00 0.03 0.02 22 G C T 38.58 5.34 19.99 26.46 96.43 26.78 91.16 -7.30 99.92 0.04 0.04 0.17 1.06 98.72 0.00 0.03 0.00 0.02 0.00 23 D C C 33.47 12.99 16.64 31.04 119.06 131.17 -72.49 149.64 94.23 5.77 0.01 93.35 1.10 0.02 0.00 0.00 0.00 5.41 0.13 24 T E E 53.66 9.89 22.53 33.00 118.99 -130.31 -101.27 132.95 1.25 98.75 0.00 1.30 0.02 0.00 0.00 0.00 0.00 98.54 0.13 25 V E E 5.12 24.58 15.86 40.98 127.23 -171.28 -122.97 142.25 0.20 99.80 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.81 0.00 26 R E E 93.92 8.10 25.83 34.46 115.88 -136.38 -98.80 127.31 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 27 V E E 3.50 25.86 15.94 42.86 120.94 -165.08 -112.77 131.25 0.23 99.77 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.80 0.00 28 H E E 55.77 9.44 25.35 35.46 121.86 -166.29 -115.63 133.95 0.18 99.82 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 29 A E E 7.50 22.35 16.39 38.92 126.14 -168.60 -123.10 138.66 0.22 99.78 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 30 K E E 75.59 8.44 22.31 31.46 118.50 -154.15 -108.84 128.11 0.56 99.43 0.00 0.51 0.01 0.00 0.00 0.00 0.00 99.47 0.00 31 V E E 23.92 16.26 13.92 30.94 122.74 -167.15 -116.06 138.10 1.41 98.59 0.00 1.19 0.08 0.01 0.00 0.00 0.00 98.71 0.02 32 V E E 68.30 6.60 14.30 22.85 116.08 -142.61 -104.69 126.18 6.89 93.08 0.03 5.79 0.60 0.08 0.00 0.02 0.00 93.34 0.17 33 E E E 100.54 6.04 10.10 18.00 114.76 -176.88 -123.37 111.29 26.05 72.74 1.21 11.15 7.16 9.10 0.12 1.21 0.00 70.67 0.59 34 G C T 63.11 0.59 12.25 11.77 109.05 -45.96 63.58 -125.25 98.62 0.36 1.02 2.35 12.86 83.13 0.03 1.27 0.00 0.28 0.07 35 T C T 129.37 0.36 10.35 9.37 97.37 -23.01 -89.89 0.40 98.57 0.43 1.00 2.53 17.16 78.68 0.03 1.20 0.00 0.33 0.08 36 R E E 147.73 2.07 10.22 13.95 121.66 89.88 -104.23 143.41 20.48 79.41 0.11 12.66 7.37 1.28 0.02 0.10 0.00 77.95 0.62 37 E E E 117.19 6.41 9.78 18.19 119.32 -142.78 -100.19 134.06 9.70 90.29 0.01 8.37 0.52 0.06 0.00 0.01 0.00 90.96 0.08 38 R E E 103.52 6.05 14.33 22.27 128.46 -177.24 -129.45 147.08 2.42 97.58 0.00 2.13 0.10 0.01 0.00 0.00 0.00 97.75 0.02 39 I E E 87.71 9.70 14.31 25.17 118.11 -133.32 -99.23 131.56 0.86 99.13 0.00 0.80 0.02 0.00 0.00 0.00 0.00 99.18 0.01 40 Q E E 55.05 11.99 16.48 29.52 128.85 -176.05 -127.53 146.66 0.39 99.61 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.65 0.00 41 L E E 74.90 10.12 19.99 30.72 117.32 -132.45 -96.46 131.57 0.24 99.76 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.79 0.00 42 F E E 14.43 20.98 16.62 37.81 130.95 -174.60 -127.94 150.40 0.20 99.80 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 43 E E E 71.88 10.85 25.43 36.37 123.93 -148.65 -115.33 138.27 0.54 99.46 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.56 0.00 44 G E E 3.98 18.92 22.47 41.49 145.13 124.90 -169.08 -173.01 0.96 99.04 0.00 0.69 0.07 0.00 0.00 0.00 0.00 99.23 0.00 45 V E E 32.49 12.70 26.27 40.05 122.53 -72.59 -112.02 136.74 0.28 99.72 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.75 0.00 46 V E E 6.47 24.22 17.81 43.01 109.49 -117.40 -75.47 124.30 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 47 I E E 44.27 12.26 23.38 36.38 100.77 174.18 -99.00 -31.25 0.53 99.47 0.00 0.37 0.07 0.00 0.00 0.00 0.00 99.56 0.00 48 K E E 79.28 6.84 25.31 33.16 141.40 -1.01 -157.49 151.56 0.44 99.56 0.00 0.33 0.04 0.00 0.00 0.00 0.00 99.63 0.00 49 R E E 76.65 19.78 13.74 32.09 124.88 -159.30 -127.84 131.87 2.30 97.70 0.00 2.18 0.08 0.00 0.00 0.00 0.00 97.64 0.09 50 R E E 122.74 5.19 18.69 25.00 124.89 -174.88 -125.89 143.02 29.75 70.21 0.04 25.12 3.24 0.30 0.01 0.04 0.00 70.83 0.48 51 G C C 48.97 3.40 15.06 19.66 120.60 12.40 92.36 -166.62 76.04 23.84 0.12 44.32 28.20 2.40 0.01 0.15 0.00 24.41 0.50 52 A C C 80.85 3.66 12.82 18.12 120.37 -111.22 -121.83 133.56 84.88 14.74 0.38 47.06 34.80 3.46 0.06 0.42 0.00 12.04 2.15 53 G C S 49.14 2.23 15.19 17.93 120.16 -10.01 78.13 -154.44 93.21 2.61 4.18 6.46 61.60 25.38 0.24 3.86 0.00 1.59 0.86 54 I C T 117.64 5.74 13.62 20.50 94.53 -32.35 -74.02 -17.40 93.54 0.97 5.49 3.53 35.83 53.35 0.16 6.22 0.00 0.61 0.31 55 S C T 57.90 7.57 16.06 24.58 99.29 56.19 -95.56 6.21 80.63 14.28 5.08 17.08 22.08 40.50 0.16 6.30 0.00 13.23 0.65 56 E C C 39.07 13.94 14.89 29.96 117.24 119.17 -86.54 139.91 58.81 40.71 0.48 53.96 2.80 0.64 0.05 0.39 0.00 41.74 0.44 57 T E E 33.37 12.03 21.83 34.61 130.46 -165.02 -127.95 149.48 7.39 92.60 0.01 6.57 0.46 0.02 0.00 0.00 0.00 92.76 0.17 58 F E E 11.10 22.38 18.82 41.44 125.10 -156.55 -118.54 139.31 0.53 99.47 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.53 0.00 59 T E E 21.81 12.80 25.40 39.28 120.75 -153.95 -112.27 133.87 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 60 V E E 4.63 24.15 19.55 44.24 121.74 -164.91 -115.07 133.58 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 61 R E E 58.15 13.60 23.69 37.24 124.15 -167.44 -116.11 136.57 0.38 99.62 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.65 0.00 62 K E E 47.00 15.01 19.22 34.31 128.50 -172.39 -122.90 144.23 1.08 98.92 0.00 0.90 0.06 0.00 0.00 0.00 0.00 99.02 0.01 63 I E E 60.18 11.68 16.36 29.13 116.99 -141.33 -104.92 125.92 4.27 95.71 0.02 3.57 0.44 0.04 0.00 0.01 0.00 95.82 0.12 64 S E E 43.44 9.02 12.32 23.00 125.63 167.69 -136.00 135.53 13.57 86.26 0.17 9.98 2.86 0.78 0.04 0.13 0.00 85.51 0.70 65 N C T 138.79 1.00 14.25 14.74 94.43 -17.24 51.70 41.14 99.18 0.48 0.34 0.81 11.15 87.24 0.01 0.35 0.00 0.35 0.08 66 S C T 89.72 3.04 13.44 17.36 95.13 -46.27 77.10 5.80 99.51 0.25 0.24 0.78 11.11 87.63 0.01 0.26 0.00 0.18 0.03 67 V E E 69.79 6.66 15.00 23.35 123.09 101.24 -116.32 135.29 7.59 92.37 0.04 4.97 2.12 0.28 0.01 0.03 0.00 92.28 0.31 68 G E E 23.06 14.24 14.00 28.50 121.46 -147.79 -97.60 146.56 2.13 97.87 0.00 1.76 0.13 0.01 0.00 0.00 0.00 98.07 0.02 69 V E E 38.34 12.16 19.35 32.75 124.57 -166.19 -124.50 135.71 0.62 99.38 0.00 0.56 0.02 0.00 0.00 0.00 0.00 99.42 0.01 70 E E E 76.90 14.99 18.17 32.65 122.29 -158.86 -111.78 133.86 0.58 99.42 0.00 0.49 0.01 0.00 0.00 0.00 0.00 99.49 0.00 71 R E E 68.26 13.30 20.63 34.06 131.37 -173.85 -132.52 144.70 0.20 99.80 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 72 T E E 55.45 13.77 20.98 34.39 122.32 -150.30 -113.58 132.23 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 73 F E E 19.09 19.40 18.50 38.10 128.99 -173.56 -130.59 142.92 0.80 99.20 0.00 0.72 0.02 0.00 0.00 0.00 0.00 99.25 0.02 74 P E E 43.15 8.95 24.06 33.88 113.67 -107.92 -66.89 143.35 7.53 92.46 0.01 6.46 0.54 0.08 0.00 0.01 0.00 92.71 0.20 75 V C T 19.88 22.53 16.23 38.27 92.89 -118.05 -62.71 -27.18 95.27 3.83 0.90 8.93 13.66 72.54 0.06 1.01 0.00 3.43 0.37 76 H C T 92.55 10.09 22.32 32.81 94.52 59.54 -87.02 4.30 98.05 1.32 0.63 7.92 16.66 73.26 0.04 0.84 0.00 0.99 0.29 77 T C C 22.08 17.14 14.88 32.76 112.71 122.33 -72.57 132.98 97.16 2.35 0.48 57.77 38.53 1.03 0.11 0.41 0.00 1.09 1.07 78 P C T 79.61 6.51 21.12 28.62 93.27 -126.23 -64.19 -21.48 95.71 1.38 2.91 3.78 14.16 78.04 0.49 2.24 0.01 0.97 0.30 79 R C T 81.59 13.02 19.71 32.60 93.71 61.95 -83.57 -6.58 88.14 8.73 3.13 6.57 8.09 73.77 0.59 2.49 0.01 8.08 0.41 80 I E E 10.66 24.49 12.74 37.19 110.10 105.28 -82.55 118.13 6.91 92.57 0.51 6.53 0.39 0.07 0.25 0.14 0.00 92.05 0.56 81 A E E 52.43 6.72 22.63 29.96 99.82 175.71 -90.67 -33.69 5.60 94.09 0.31 4.27 0.76 0.12 0.11 0.08 0.00 94.61 0.05 82 K E E 90.12 5.66 25.07 31.65 140.58 -0.17 -154.22 151.37 1.18 98.73 0.09 0.88 0.09 0.02 0.02 0.02 0.00 98.96 0.01 83 L E E 18.52 24.47 13.37 37.46 124.75 -161.40 -128.65 131.26 0.76 99.17 0.07 0.70 0.02 0.00 0.03 0.01 0.00 99.23 0.01 84 E E E 84.61 5.95 25.49 31.64 121.38 -169.01 -121.05 130.85 0.77 99.16 0.07 0.70 0.02 0.01 0.03 0.01 0.00 99.22 0.01 85 V E E 43.42 18.30 14.71 32.63 111.55 -134.17 -85.22 122.88 2.49 97.41 0.10 2.41 0.06 0.02 0.06 0.02 0.00 97.37 0.05 86 I E E 73.27 7.81 19.09 28.03 101.72 176.13 -98.08 -31.40 12.29 87.47 0.24 10.82 1.03 0.19 0.13 0.09 0.00 87.55 0.20 87 R E E 107.44 6.31 19.54 26.99 136.88 -0.17 -150.11 148.89 23.71 75.86 0.43 20.19 2.83 0.50 0.19 0.22 0.00 75.54 0.54 88 R C C 125.17 11.41 14.14 26.24 121.01 -152.30 -111.74 134.67 54.88 44.12 1.00 45.68 6.31 1.55 0.32 0.59 0.00 44.62 0.93 89 G C C 27.32 9.77 14.11 24.77 130.85 -167.11 -124.67 175.76 84.54 13.17 2.29 57.72 22.05 4.71 0.99 1.21 0.00 12.18 1.15 90 K C C 150.43 2.42 17.62 20.52 112.14 -82.92 -90.06 131.24 85.94 9.76 4.30 66.17 16.09 3.71 2.72 1.68 0.00 7.84 1.79 91 V C C 58.60 14.18 10.21 24.11 117.29 -138.48 -98.91 132.82 81.94 7.68 10.39 69.40 8.31 3.93 7.76 2.98 0.00 5.53 2.07 92 R C C 138.33 5.27 15.38 21.90 113.02 -156.40 -95.87 131.10 81.67 5.36 12.97 65.52 10.57 5.26 9.63 3.81 0.00 3.72 1.50 93 R C C 133.66 7.23 14.87 23.05 110.23 -116.33 -87.51 118.17 69.07 5.80 25.13 49.37 12.36 7.26 18.03 7.42 0.02 4.01 1.53 94 A C C 47.61 11.01 13.69 25.24 107.50 -132.18 -78.71 123.23 65.76 5.75 28.49 47.61 10.57 7.29 20.03 8.96 0.02 4.44 1.08 95 K C C 110.72 7.27 17.72 25.41 103.27 -100.23 -82.55 71.97 60.97 7.83 31.20 45.50 8.51 6.72 22.20 9.34 0.02 6.41 1.30 96 L C C 42.03 16.28 13.35 29.28 102.27 118.71 -85.89 9.81 48.33 10.33 41.34 39.55 4.79 4.23 30.01 11.36 0.01 8.83 1.23 97 Y H H 105.70 7.68 17.76 26.17 95.60 126.20 -69.52 -33.91 29.12 10.48 60.40 15.28 5.07 9.08 38.59 21.48 0.05 9.59 0.86 98 Y H H 90.36 8.74 17.21 26.80 94.16 56.42 -72.16 -28.40 26.18 11.91 61.91 12.09 4.37 9.93 37.54 24.25 0.10 10.84 0.86 99 L H H 34.08 16.96 13.17 30.03 94.78 61.88 -75.76 -19.22 19.57 9.70 70.74 10.81 3.26 5.93 37.55 32.82 0.05 8.94 0.64 100 R H H 115.09 9.05 15.40 25.39 93.08 77.01 -67.06 -28.29 33.03 7.89 59.08 8.55 5.24 18.22 32.15 27.55 0.42 6.73 1.15 101 N C T 112.27 2.68 17.81 20.52 98.28 47.37 -95.25 5.78 52.59 4.30 43.11 11.15 8.15 32.02 21.07 23.11 0.22 3.26 1.02 102 L C C 47.69 15.88 8.77 24.09 112.90 122.35 -78.88 132.17 79.47 4.43 16.10 59.61 13.20 6.18 12.33 4.43 0.01 2.70 1.54 103 R C C 160.57 2.75 15.52 19.41 117.83 -164.74 -104.75 141.08 76.42 5.16 18.42 49.50 12.88 13.10 15.64 3.96 0.04 2.74 2.14 104 G C H 40.44 4.03 15.94 20.77 119.84 12.80 86.33 -166.80 63.27 1.98 34.75 19.47 22.43 21.89 26.44 7.80 0.09 0.96 0.91 105 K H H 127.99 5.50 14.69 21.41 95.22 -36.83 -68.31 -31.45 33.36 1.38 65.26 10.93 7.60 14.81 46.35 18.88 0.11 0.88 0.45 106 A H H 49.60 8.20 13.68 23.24 94.24 59.17 -67.33 -32.28 27.61 2.22 70.17 10.00 5.27 11.90 48.43 22.09 0.13 1.67 0.50 107 A H H 39.88 9.54 13.86 24.77 95.89 59.69 -72.40 -23.96 27.73 4.05 68.21 13.80 5.30 8.95 47.94 19.99 0.08 3.23 0.71 108 R H H 121.60 6.55 16.60 23.93 100.36 68.01 -81.02 -6.63 35.02 9.84 55.15 20.70 7.12 8.86 41.87 11.74 0.11 7.94 1.66 109 I H H 64.73 12.32 11.86 24.58 107.88 85.51 -87.19 97.24 35.99 15.58 48.44 24.91 6.18 6.17 40.07 7.11 0.09 13.42 2.06 110 K H H 122.07 5.70 13.84 20.71 107.69 72.02 -85.96 100.89 42.54 14.90 42.56 27.14 7.35 8.11 35.23 6.90 0.08 13.59 1.61 111 E C C 117.86 4.94 12.30 18.77 111.91 -139.75 -90.35 124.62 47.58 16.01 36.40 29.40 7.15 10.67 29.27 7.24 0.08 14.31 1.88 112 I C C 90.36 8.79 9.26 19.06 111.41 -152.01 -89.58 121.90 67.99 8.75 23.27 57.00 2.11 7.95 20.76 3.31 0.00 6.88 1.97 113 R C C 155.34 4.01 13.30 18.98 111.64 -149.62 -91.94 120.42 99.60 0.27 0.13 99.47 0.10 0.12 0.10 0.01 0.00 0.19 0.02