#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8c s SER 2 N 0.00 4.50 -0.23 1.61 0.01 -1.26 -4.91 113.70 113.42 2d8c s SER 2 Ca 0.00 -0.60 -0.20 0.00 1.31 0.00 0.00 55.95 56.46 2d8c s SER 2 Cb 0.00 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.64 2d8c s SER 2 CO 0.00 -3.41 0.60 -0.94 0.41 0.00 0.00 173.24 169.90 2d8c s SER 3 N 8.85 6.59 0.00 2.44 1.04 -1.26 -5.04 113.70 126.32 2d8c s SER 3 Ca 0.79 0.72 0.00 0.00 0.48 0.00 0.00 55.95 57.94 2d8c s SER 3 Cb -0.08 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.71 2d8c s SER 3 CO 0.06 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.58 2d8c n GLY 4 N 4.04 6.37 3.07 7.32 0.00 -1.26 -5.17 105.19 119.56 2d8c n GLY 4 Ca -0.02 -1.92 -0.13 0.00 0.00 0.00 0.00 46.02 43.96 2d8c n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8c s SER 5 N 0.48 -0.23 0.15 1.61 0.01 -1.26 -5.17 113.70 109.30 2d8c s SER 5 Ca 0.00 0.46 0.07 0.00 1.31 0.00 0.00 55.95 57.79 2d8c s SER 5 Cb 0.00 0.41 -0.04 0.00 0.21 0.00 0.00 66.02 66.60 2d8c s SER 5 CO 0.00 -0.11 -0.16 -0.44 0.41 0.00 0.00 173.24 172.94 2d8c s SER 6 N 0.60 2.38 0.00 2.44 0.01 -1.26 -5.03 113.70 112.84 2d8c s SER 6 Ca -0.04 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.36 2d8c s SER 6 Cb -0.05 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.06 2d8c s SER 6 CO -0.03 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.13 2d8c n GLY 7 N 0.30 0.72 3.95 3.44 0.00 -1.26 -5.15 105.19 107.19 2d8c n GLY 7 Ca -0.13 -0.66 -0.19 0.00 0.00 0.00 0.00 46.02 45.03 2d8c n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2d8c s MET 8 N -0.19 2.93 0.02 1.61 1.00 -1.26 -5.07 119.30 118.34 2d8c s MET 8 Ca 0.00 -1.16 -0.05 0.00 0.00 0.00 0.00 55.69 54.48 2d8c s MET 8 Cb 0.00 -2.69 -0.02 0.00 0.00 0.00 0.00 34.83 32.13 2d8c s MET 8 CO 0.00 0.01 -0.10 1.28 0.00 0.00 0.00 175.02 176.21 2d8c n LEU 9 N -1.59 1.29 -3.95 -0.03 4.77 -1.26 -5.12 117.00 111.12 2d8c n LEU 9 Ca 0.01 0.19 -0.10 0.00 -0.03 0.00 0.00 56.01 56.08 2d8c n LEU 9 Cb 0.59 -0.44 -0.07 0.00 -2.33 0.00 0.00 43.42 41.17 2d8c n LEU 9 CO 0.42 -0.61 0.00 -0.55 -1.33 0.00 0.00 177.39 175.32 2d8c s SER 10 N -5.91 0.02 -0.20 -1.43 0.15 -1.26 -5.09 113.70 99.97 2d8c s SER 10 Ca -0.08 -0.85 -0.16 0.00 0.70 0.00 0.00 55.95 55.56 2d8c s SER 10 Cb 0.01 0.45 -0.09 0.00 -1.71 0.00 0.00 66.02 64.68 2d8c s SER 10 CO 0.12 -0.91 -0.24 0.00 1.20 0.00 0.00 173.24 173.42 2d8c n ALA 11 N -0.23 0.87 -0.28 5.45 0.00 -1.26 -4.61 120.51 120.45 2d8c n ALA 11 Ca -0.07 -0.77 -0.08 0.00 0.00 0.00 0.00 53.44 52.51 2d8c n ALA 11 Cb 0.63 -0.03 -0.07 0.00 0.00 0.00 0.00 19.45 19.98 2d8c n ALA 11 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2d8c h ARG 12 N -1.00 -0.02 -6.20 0.00 9.65 -2.07 -3.41 114.38 111.33 2d8c h ARG 12 Ca -0.25 0.00 -0.60 0.00 -1.10 0.00 0.00 59.98 58.03 2d8c h ARG 12 Cb 1.12 0.00 0.17 0.00 -1.39 0.00 0.00 29.97 29.88 2d8c h ARG 12 CO -0.15 -0.01 -0.82 -2.37 2.80 0.00 0.00 179.97 179.41 2d8c n THR 13 N -4.59 0.95 -2.11 0.20 5.66 -1.26 -4.92 114.28 108.20 2d8c n THR 13 Ca 0.01 -0.50 0.04 0.00 -3.05 0.00 0.00 64.05 60.55 2d8c n THR 13 Cb 0.19 -0.27 0.07 0.00 -1.55 0.00 0.00 70.33 68.77 2d8c n THR 13 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 2d8c n MET 14 N 0.89 0.46 0.19 1.09 0.00 -1.26 -4.77 117.12 113.73 2d8c n MET 14 Ca 0.10 -2.20 0.07 0.00 0.00 0.00 0.00 57.70 55.67 2d8c n MET 14 Cb 0.46 -0.56 0.31 0.00 0.00 0.00 0.00 33.22 33.43 2d8c n MET 14 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 2d8c h LYS 15 N 0.78 0.00 0.00 0.03 6.56 -1.90 -3.37 116.57 118.67 2d8c h LYS 15 Ca -0.12 0.00 -0.21 0.00 -1.06 0.00 0.00 60.65 59.26 2d8c h LYS 15 Cb 1.55 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 33.18 2d8c h LYS 15 CO 0.05 0.31 -1.57 -0.85 -2.06 0.00 0.00 179.45 175.33 2d8c n GLU 16 N -3.35 0.37 -1.76 3.15 0.28 -1.26 -1.62 120.64 116.45 2d8c n GLU 16 Ca 0.01 0.16 -0.01 0.00 -0.16 0.00 0.00 57.16 57.15 2d8c n GLU 16 Cb 0.53 -1.12 -0.00 0.00 1.43 0.00 0.00 31.44 32.28 2d8c n GLU 16 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 2d8c n VAL 17 N -3.90 -0.02 -0.03 3.84 3.14 -1.26 -4.59 118.33 115.52 2d8c n VAL 17 Ca -0.27 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.08 2d8c n VAL 17 Cb 0.62 -0.12 -0.03 0.00 -1.06 0.00 0.00 33.84 33.26 2d8c n VAL 17 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 2d8c n VAL 18 N -1.82 0.30 1.41 1.55 0.24 -1.26 -2.67 118.33 116.09 2d8c n VAL 18 Ca -0.01 -0.12 0.07 0.00 -2.04 0.00 0.00 64.34 62.24 2d8c n VAL 18 Cb 0.27 -0.71 0.27 0.00 -1.47 0.00 0.00 33.84 32.21 2d8c n VAL 18 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2d8c n TYR 19 N -2.61 0.21 -0.25 6.34 4.01 -1.26 -1.45 117.16 122.15 2d8c n TYR 19 Ca -0.09 -0.11 -0.16 0.00 -0.16 0.00 0.00 57.90 57.39 2d8c n TYR 19 Cb 0.60 0.00 0.15 0.00 -0.31 0.00 0.00 39.34 39.79 2d8c n TYR 19 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2d8c n TRP 20 N 0.02 -2.64 -4.18 -0.72 7.02 -1.26 -4.94 117.44 110.74 2d8c n TRP 20 Ca 0.11 -0.30 -0.24 0.00 -1.02 0.00 0.00 57.50 56.06 2d8c n TRP 20 Cb 0.21 -0.90 -0.07 0.00 -2.42 0.00 0.00 31.31 28.12 2d8c n TRP 20 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 2d8c s SER 21 N -2.30 4.45 0.28 -0.99 0.01 -1.26 -4.46 113.70 109.42 2d8c s SER 21 Ca 0.35 -0.95 0.24 0.00 1.31 0.00 0.00 55.95 56.90 2d8c s SER 21 Cb -0.06 -0.58 1.01 0.00 0.21 0.00 0.00 66.02 66.60 2d8c s SER 21 CO 0.29 -0.37 1.73 -0.81 0.41 0.00 0.00 173.24 174.49 2d8c n PRO 22 N -1.13 0.21 0.01 12.44 -0.04 -1.26 -2.37 135.00 142.85 2d8c n PRO 22 Ca -0.03 0.44 0.07 0.00 -0.04 0.00 0.00 63.50 63.94 2d8c n PRO 22 Cb 0.63 -1.90 -0.12 0.00 -0.04 0.00 0.00 33.50 32.06 2d8c n PRO 22 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2d8c n LYS 23 N -2.29 0.65 -0.05 0.54 4.01 -1.26 -4.40 118.16 115.35 2d8c n LYS 23 Ca 0.02 -0.05 -0.07 0.00 -0.51 0.00 0.00 58.31 57.70 2d8c n LYS 23 Cb 0.23 -1.62 -0.07 0.00 -0.51 0.00 0.00 35.03 33.06 2d8c n LYS 23 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 2d8c h LYS 24 N 0.00 -0.01 -1.11 1.97 1.63 -1.83 -3.28 116.57 113.93 2d8c h LYS 24 Ca -0.10 0.00 0.42 0.00 -0.85 0.00 0.00 60.65 60.12 2d8c h LYS 24 Cb 1.26 0.00 -0.15 0.00 -0.60 0.00 0.00 32.23 32.74 2d8c h LYS 24 CO 0.01 0.49 0.66 0.28 -3.45 0.00 0.00 179.45 177.44 2d8c n VAL 25 N -4.71 -0.33 0.25 2.00 0.31 -1.00 0.11 118.33 114.96 2d8c n VAL 25 Ca -0.05 1.84 -0.14 0.00 -0.01 0.00 0.00 64.34 65.98 2d8c n VAL 25 Cb 0.25 -3.00 -0.08 0.00 -0.91 0.00 0.00 33.84 30.09 2d8c n VAL 25 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2d8c h ALA 26 N 1.74 -0.64 -1.09 3.52 0.00 -1.76 -3.00 119.26 118.04 2d8c h ALA 26 Ca 0.82 -0.19 0.30 0.00 0.00 0.00 0.00 54.91 55.85 2d8c h ALA 26 Cb 2.39 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 20.31 2d8c h ALA 26 CO -0.61 -0.72 0.69 -0.44 0.00 0.00 0.00 179.25 178.17 2d8c h ASP 27 N -0.91 0.43 0.22 0.00 3.32 -0.38 0.97 116.42 120.07 2d8c h ASP 27 Ca -0.07 0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 2d8c h ASP 27 Cb 0.59 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 2d8c h ASP 27 CO 0.11 0.01 -0.23 -0.25 -1.72 0.00 0.00 179.24 177.16 2d8c h TRP 28 N 0.34 0.03 -0.02 4.55 7.01 -1.26 0.02 115.95 126.62 2d8c h TRP 28 Ca 0.66 -0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.60 2d8c h TRP 28 Cb 1.70 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 28.76 2d8c h TRP 28 CO -0.00 0.26 -0.19 -0.07 -2.79 0.00 0.00 178.44 175.65 2d8c h LEU 29 N 0.02 0.20 -1.23 0.65 3.38 0.11 -3.26 115.31 115.18 2d8c h LEU 29 Ca 0.00 -0.72 -0.08 0.00 0.09 0.00 0.00 57.88 57.18 2d8c h LEU 29 Cb 0.43 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2d8c h LEU 29 CO 0.03 0.88 -0.32 -0.07 0.09 0.00 0.00 178.44 179.05 2d8c h LEU 30 N -0.48 0.10 -2.56 1.67 3.38 -1.25 0.85 115.31 117.03 2d8c h LEU 30 Ca -0.02 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2d8c h LEU 30 Cb 0.90 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 2d8c h LEU 30 CO 0.04 0.43 0.05 -0.08 0.09 0.00 0.00 178.44 178.96 2d8c h GLU 31 N 0.09 0.00 -0.13 1.13 4.57 -1.03 -0.37 114.58 118.84 2d8c h GLU 31 Ca 0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2d8c h GLU 31 Cb 0.62 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 2d8c h GLU 31 CO 0.05 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 177.97 2d8c n ASN 32 N -3.58 2.59 -2.30 1.04 3.02 -0.91 -4.98 115.26 110.14 2d8c n ASN 32 Ca -0.02 -2.36 -0.10 0.00 -0.03 0.00 0.00 54.58 52.07 2d8c n ASN 32 Cb 0.13 -0.23 0.05 0.00 -0.61 0.00 0.00 39.78 39.12 2d8c n ASN 32 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2d8c n ALA 33 N -0.42 -1.05 -2.51 5.41 0.00 -0.15 -4.98 120.51 116.81 2d8c n ALA 33 Ca 0.09 -0.01 -0.22 0.00 0.00 0.00 0.00 53.44 53.30 2d8c n ALA 33 Cb 0.47 -1.71 0.01 0.00 0.00 0.00 0.00 19.45 18.21 2d8c n ALA 33 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2d8c n MET 34 N -2.72 2.88 0.00 0.00 2.81 0.29 -4.83 117.12 115.55 2d8c n MET 34 Ca -0.14 -4.19 0.07 0.00 -1.81 0.00 0.00 57.70 51.63 2d8c n MET 34 Cb 0.59 -2.01 0.35 0.00 -0.71 0.00 0.00 33.22 31.44 2d8c n MET 34 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2d8c n PRO 35 N -0.39 0.15 0.17 0.03 -0.04 -1.26 -2.36 135.00 131.30 2d8c n PRO 35 Ca 0.32 0.18 0.06 0.00 -0.04 0.00 0.00 63.50 64.02 2d8c n PRO 35 Cb 0.71 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.80 2d8c n PRO 35 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2d8c h GLU 36 N 0.00 0.00 0.00 0.54 9.09 -1.94 -3.16 114.58 119.11 2d8c h GLU 36 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2d8c h GLU 36 Cb 0.17 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.27 2d8c h GLU 36 CO 0.00 0.33 -0.83 0.66 0.05 0.00 0.00 179.01 179.23 2d8c n TYR 37 N -3.22 0.03 -0.21 2.06 4.01 -1.00 -4.27 117.16 114.56 2d8c n TYR 37 Ca 0.02 0.01 -0.04 0.00 -0.16 0.00 0.00 57.90 57.73 2d8c n TYR 37 Cb 0.63 -0.15 0.07 0.00 -0.31 0.00 0.00 39.34 39.58 2d8c n TYR 37 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2d8c h GLU 39 N 0.68 -0.80 0.00 0.00 5.08 -1.74 0.51 114.58 118.30 2d8c h GLU 39 Ca 0.25 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2d8c h GLU 39 Cb 0.08 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2d8c h GLU 39 CO -0.13 -0.54 0.00 -1.00 -1.00 0.00 0.00 179.01 176.35 2d8c h PRO 40 N -0.83 0.00 -0.46 2.33 0.13 -1.78 -2.86 132.00 128.53 2d8c h PRO 40 Ca -0.02 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.84 2d8c h PRO 40 Cb 0.80 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.76 2d8c h PRO 40 CO -0.22 0.00 -0.08 1.28 -0.23 0.00 0.00 178.00 178.75 2d8c n LEU 41 N -2.95 4.54 -0.03 1.56 4.77 0.11 -4.64 117.00 120.37 2d8c n LEU 41 Ca 0.01 -3.93 -0.14 0.00 -0.03 0.00 0.00 56.01 51.91 2d8c n LEU 41 Cb 0.28 -0.64 -0.10 0.00 -2.33 0.00 0.00 43.42 40.64 2d8c n LEU 41 CO 0.26 1.38 0.50 1.05 -1.33 0.00 0.00 177.39 179.24 2d8c h GLU 42 N 1.19 0.22 -0.39 3.23 4.11 0.22 -3.29 114.58 119.87 2d8c h GLU 42 Ca 0.28 -0.16 0.00 0.00 0.07 0.00 0.00 59.36 59.55 2d8c h GLU 42 Cb 1.64 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.92 2d8c h GLU 42 CO 0.53 0.80 0.00 -2.39 0.07 0.00 0.00 179.01 178.02 2d8c n HIS 43 N -4.57 0.50 -2.32 2.06 1.44 -1.26 -4.52 115.22 106.56 2d8c n HIS 43 Ca -0.08 -0.28 -0.37 0.00 -2.01 0.00 0.00 57.72 54.97 2d8c n HIS 43 Cb 0.42 -0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.51 2d8c n HIS 43 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2d8c s PHE 44 N -1.35 2.98 0.03 -1.40 0.40 -1.24 -4.77 117.98 112.64 2d8c s PHE 44 Ca 0.36 1.56 0.04 0.00 -0.60 0.00 0.00 56.93 58.29 2d8c s PHE 44 Cb 0.21 -3.33 -0.03 0.00 0.51 0.00 0.00 43.02 40.37 2d8c s PHE 44 CO 0.29 -1.31 -0.08 0.95 0.70 0.00 0.00 175.22 175.77 2d8c s THR 45 N -1.54 3.52 0.25 0.64 -4.23 -1.26 -4.11 115.64 108.91 2d8c s THR 45 Ca 0.61 -0.90 0.15 0.00 -1.18 0.00 0.00 61.69 60.38 2d8c s THR 45 Cb -0.28 -2.55 0.25 0.00 1.34 0.00 0.00 72.50 71.26 2d8c s THR 45 CO 0.34 0.34 1.05 0.61 -0.54 0.00 0.00 174.62 176.42 2d8c n GLY 46 N 1.40 -0.51 0.10 3.99 0.00 -1.26 0.16 105.19 109.07 2d8c n GLY 46 Ca -0.15 0.53 -0.13 0.00 0.00 0.00 0.00 46.02 46.28 2d8c n GLY 46 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2d8c h GLN 47 N 0.00 -0.13 -0.62 1.61 5.75 -1.02 -2.16 115.11 118.54 2d8c h GLN 47 Ca 0.57 0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 59.01 2d8c h GLN 47 Cb 1.56 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 30.12 2d8c h GLN 47 CO -0.48 0.19 0.13 -0.44 -2.65 0.00 0.00 178.83 175.58 2d8c h ASP 48 N -0.47 0.95 -0.16 -0.69 5.19 0.12 -2.38 116.42 118.98 2d8c h ASP 48 Ca -0.01 -0.24 0.04 0.00 -0.62 0.00 0.00 57.03 56.19 2d8c h ASP 48 Cb 0.39 -0.25 -0.04 0.00 0.18 0.00 0.00 39.33 39.61 2d8c h ASP 48 CO 0.02 0.95 -0.07 0.25 -3.12 0.00 0.00 179.24 177.28 2d8c h LEU 49 N 0.91 -0.23 -2.05 1.55 6.46 -0.57 -0.71 115.31 120.68 2d8c h LEU 49 Ca 0.19 0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 58.00 2d8c h LEU 49 Cb 0.38 0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 40.44 2d8c h LEU 49 CO 0.01 -0.09 -0.07 0.16 -0.62 0.00 0.00 178.44 177.83 2d8c h ILE 50 N -0.04 0.31 -0.09 4.05 3.07 -1.29 -1.66 117.51 121.85 2d8c h ILE 50 Ca 0.09 -0.41 0.00 0.00 1.55 0.00 0.00 64.86 66.08 2d8c h ILE 50 Cb 0.17 1.31 0.00 0.00 -0.27 0.00 0.00 36.82 38.03 2d8c h ILE 50 CO -0.19 0.06 0.00 0.59 -1.05 0.00 0.00 178.15 177.56 2d8c n ASN 51 N -3.39 1.17 -4.77 2.16 3.02 -0.28 -4.85 115.26 108.32 2d8c n ASN 51 Ca -0.02 -2.07 -0.39 0.00 -0.03 0.00 0.00 54.58 52.07 2d8c n ASN 51 Cb 0.22 -0.32 -0.06 0.00 -0.61 0.00 0.00 39.78 39.01 2d8c n ASN 51 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2d8c s LEU 52 N -0.67 4.52 0.19 3.41 1.43 -0.63 -5.04 118.68 121.89 2d8c s LEU 52 Ca 0.07 1.46 0.01 0.00 -1.03 0.00 0.00 54.13 54.65 2d8c s LEU 52 Cb 0.05 -3.16 -0.05 0.00 0.03 0.00 0.00 46.19 43.07 2d8c s LEU 52 CO 0.03 0.16 0.04 0.42 0.23 0.00 0.00 176.35 177.23 2d8c s THR 53 N -0.72 0.55 0.38 5.49 -4.23 -1.26 -5.02 115.64 110.82 2d8c s THR 53 Ca 0.35 -1.98 0.13 0.00 -1.18 0.00 0.00 61.69 59.00 2d8c s THR 53 Cb -0.21 -2.25 0.35 0.00 1.34 0.00 0.00 72.50 71.72 2d8c s THR 53 CO 0.23 -0.34 1.85 -0.61 -0.54 0.00 0.00 174.62 175.22 2d8c h GLN 54 N 2.64 0.55 0.00 3.99 4.15 -1.97 0.48 115.11 124.94 2d8c h GLN 54 Ca -0.37 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.02 2d8c h GLN 54 Cb 1.22 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.78 2d8c h GLN 54 CO 0.61 0.36 -0.00 1.05 -1.93 0.00 0.00 178.83 178.92 2d8c h GLU 55 N 0.56 0.00 0.00 1.69 4.11 -2.00 -0.30 114.58 118.65 2d8c h GLU 55 Ca 0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.90 2d8c h GLU 55 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2d8c h GLU 55 CO -0.21 0.00 -0.17 -0.25 0.07 0.00 0.00 179.01 178.45 2d8c n ASP 56 N -3.10 0.79 -0.05 3.06 8.00 0.17 -3.87 116.55 121.54 2d8c n ASP 56 Ca -0.02 0.45 -0.19 0.00 0.71 0.00 0.00 54.79 55.74 2d8c n ASP 56 Cb 0.15 -0.53 -0.13 0.00 -0.02 0.00 0.00 41.12 40.59 2d8c n ASP 56 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2d8c h PHE 57 N 0.00 0.16 0.00 1.24 -1.00 -1.02 -3.32 116.94 113.01 2d8c h PHE 57 Ca 0.00 -0.12 0.00 0.00 2.81 0.00 0.00 57.97 60.66 2d8c h PHE 57 Cb 0.74 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.30 2d8c h PHE 57 CO 0.00 1.36 0.35 1.57 -1.61 0.00 0.00 178.31 179.98 2d8c h LYS 58 N -0.75 0.00 -5.21 1.51 2.10 -1.64 -3.29 116.57 109.29 2d8c h LYS 58 Ca -0.23 0.00 -0.39 0.00 -2.00 0.00 0.00 60.65 58.03 2d8c h LYS 58 Cb 1.38 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 32.56 2d8c h LYS 58 CO -0.05 0.00 -0.69 -1.59 -2.00 0.00 0.00 179.45 175.12 2d8c s LYS 59 N -3.76 1.29 0.83 0.07 -2.85 -1.25 -4.98 119.74 109.09 2d8c s LYS 59 Ca -0.02 -1.62 -0.11 0.00 -1.00 0.00 0.00 55.97 53.22 2d8c s LYS 59 Cb 0.06 -0.77 0.09 0.00 -2.06 0.00 0.00 37.83 35.15 2d8c s LYS 59 CO 0.19 0.01 1.09 -1.25 0.10 0.00 0.00 175.35 175.50 2d8c s PRO 60 N -3.78 1.79 0.11 1.78 0.04 -1.26 -3.58 135.00 130.10 2d8c s PRO 60 Ca 0.25 1.01 -0.14 0.00 0.04 0.00 0.00 61.00 62.16 2d8c s PRO 60 Cb 0.04 -1.86 -0.07 0.00 0.04 0.00 0.00 34.50 32.65 2d8c s PRO 60 CO 0.07 -1.92 1.44 -1.00 0.04 0.00 0.00 177.00 175.62 2d8c h PRO 61 N -1.33 0.78 -5.67 0.56 0.13 -1.96 -3.48 132.00 121.04 2d8c h PRO 61 Ca -0.46 -0.41 -0.47 0.00 -0.87 0.00 0.00 66.00 63.79 2d8c h PRO 61 Cb 1.26 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2d8c h PRO 61 CO 0.53 1.04 1.60 -0.51 -0.23 0.00 0.00 178.00 180.43 2d8c s LEU 62 N -8.95 3.39 -0.08 1.56 1.43 -1.23 -4.90 118.68 109.90 2d8c s LEU 62 Ca -0.12 0.99 -0.04 0.00 -1.03 0.00 0.00 54.13 53.94 2d8c s LEU 62 Cb 0.09 -2.52 0.04 0.00 0.03 0.00 0.00 46.19 43.84 2d8c s LEU 62 CO 0.85 -2.81 0.18 -0.47 0.23 0.00 0.00 176.35 174.32 2d8c s TYR 63 N 11.78 -0.22 -1.67 0.29 5.04 -1.24 -3.74 117.35 127.59 2d8c s TYR 63 Ca 0.94 0.60 -0.20 0.00 -2.44 0.00 0.00 57.07 55.97 2d8c s TYR 63 Cb -0.17 -0.07 0.20 0.00 0.35 0.00 0.00 41.96 42.27 2d8c s TYR 63 CO 0.25 -0.21 0.50 2.89 -1.34 0.00 0.00 175.55 177.64 2d8c n ARG 64 N 4.43 -0.76 0.09 4.97 1.85 -1.26 -4.77 116.66 121.21 2d8c n ARG 64 Ca -0.22 0.12 -0.07 0.00 -1.00 0.00 0.00 57.85 56.68 2d8c n ARG 64 Cb 0.52 -4.14 0.04 0.00 -1.05 0.00 0.00 32.46 27.82 2d8c n ARG 64 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2d8c h VAL 65 N -0.83 1.46 -2.11 8.89 2.07 -1.93 -3.46 116.25 120.34 2d8c h VAL 65 Ca -0.54 -2.38 -0.59 0.00 0.82 0.00 0.00 66.70 64.01 2d8c h VAL 65 Cb 1.24 2.29 -0.14 0.00 -1.52 0.00 0.00 31.29 33.17 2d8c h VAL 65 CO 0.79 0.70 -0.67 -0.55 0.02 0.00 0.00 177.57 177.85 2d8c s SER 66 N -6.91 3.49 0.34 0.57 0.15 -1.26 -4.98 113.70 105.09 2d8c s SER 66 Ca -0.03 -1.21 0.22 0.00 0.70 0.00 0.00 55.95 55.63 2d8c s SER 66 Cb 0.11 -0.30 0.19 0.00 -1.71 0.00 0.00 66.02 64.31 2d8c s SER 66 CO 0.82 -0.25 1.40 0.28 1.20 0.00 0.00 173.24 176.68 2d8c h SER 67 N 2.07 0.00 -0.29 5.45 0.02 -2.02 -3.29 113.55 115.49 2d8c h SER 67 Ca -0.42 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.37 2d8c h SER 67 Cb 1.25 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.70 2d8c h SER 67 CO 0.70 0.09 0.20 0.47 -1.14 0.00 0.00 176.83 177.16 2d8c n ASP 68 N -3.00 3.66 -1.96 3.07 9.92 -1.26 -4.78 116.55 122.20 2d8c n ASP 68 Ca 0.02 -2.53 -0.17 0.00 -0.53 0.00 0.00 54.79 51.58 2d8c n ASP 68 Cb 0.58 -0.67 -0.04 0.00 -0.64 0.00 0.00 41.12 40.34 2d8c n ASP 68 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2d8c n ASN 69 N 0.13 -4.76 -0.66 -2.24 5.15 -1.24 -0.47 115.26 111.18 2d8c n ASN 69 Ca 0.18 0.25 -0.07 0.00 -0.60 0.00 0.00 54.58 54.34 2d8c n ASN 69 Cb 0.80 -4.13 -0.02 0.00 -0.53 0.00 0.00 39.78 35.90 2d8c n ASN 69 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2d8c n GLY 70 N -0.62 0.49 0.12 8.20 0.00 -1.26 -4.94 105.19 107.19 2d8c n GLY 70 Ca -0.19 -0.67 -0.19 0.00 0.00 0.00 0.00 46.02 44.97 2d8c n GLY 70 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2d8c h GLN 71 N 0.00 0.35 -0.73 1.61 5.75 -1.16 -3.26 115.11 117.68 2d8c h GLN 71 Ca -0.15 -0.51 0.07 0.00 -0.15 0.00 0.00 58.65 57.91 2d8c h GLN 71 Cb 0.79 0.17 -0.10 0.00 1.07 0.00 0.00 27.48 29.41 2d8c h GLN 71 CO 0.20 1.21 -0.56 -0.09 -2.65 0.00 0.00 178.83 176.93 2d8c h ARG 72 N -0.26 -0.16 -0.01 1.69 2.43 -1.92 0.15 114.38 116.30 2d8c h ARG 72 Ca -0.12 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.09 2d8c h ARG 72 Cb 1.55 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 31.09 2d8c h ARG 72 CO 0.15 -0.11 -0.32 1.25 -1.51 0.00 0.00 179.97 179.43 2d8c h LEU 73 N -0.17 -0.95 -0.39 3.80 5.85 -1.97 0.24 115.31 121.72 2d8c h LEU 73 Ca 0.12 0.13 0.07 0.00 0.84 0.00 0.00 57.88 59.04 2d8c h LEU 73 Cb 0.48 0.38 -0.09 0.00 0.37 0.00 0.00 40.66 41.80 2d8c h LEU 73 CO -0.78 -0.38 -0.40 -0.07 -0.34 0.00 0.00 178.44 176.47 2d8c h LEU 74 N -0.46 -1.34 -2.11 2.25 3.38 -1.25 0.58 115.31 116.35 2d8c h LEU 74 Ca 0.06 0.21 0.02 0.00 0.09 0.00 0.00 57.88 58.27 2d8c h LEU 74 Cb 0.55 0.59 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 2d8c h LEU 74 CO -0.27 -0.36 0.07 0.44 0.09 0.00 0.00 178.44 178.40 2d8c h ASP 75 N -0.32 0.00 0.80 -0.43 3.32 -0.39 0.32 116.42 119.72 2d8c h ASP 75 Ca 0.14 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.99 2d8c h ASP 75 Cb 0.58 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 2d8c h ASP 75 CO -0.56 0.00 -0.94 0.24 -1.72 0.00 0.00 179.24 176.26 2d8c h MET 76 N 0.00 0.08 0.21 3.56 2.86 0.18 -3.32 114.93 118.51 2d8c h MET 76 Ca 0.04 -0.11 -0.34 0.00 -2.06 0.00 0.00 59.70 57.23 2d8c h MET 76 Cb 0.17 0.04 0.02 0.00 0.06 0.00 0.00 31.60 31.89 2d8c h MET 76 CO -0.00 0.96 -1.60 0.82 1.06 0.00 0.00 176.91 178.15 2d8c h ILE 77 N 0.03 1.13 -0.98 -1.22 2.04 0.14 -3.34 117.51 115.33 2d8c h ILE 77 Ca -0.03 -2.64 0.32 0.00 1.00 0.00 0.00 64.86 63.51 2d8c h ILE 77 Cb 1.63 2.90 -0.17 0.00 -0.74 0.00 0.00 36.82 40.45 2d8c h ILE 77 CO 0.13 0.84 0.30 -0.08 0.00 0.00 0.00 178.15 179.34 2d8c h GLU 78 N 0.12 0.07 -0.03 2.37 4.22 -0.54 1.68 114.58 122.48 2d8c h GLU 78 Ca -0.29 -0.00 -0.10 0.00 0.08 0.00 0.00 59.36 59.04 2d8c h GLU 78 Cb 2.13 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.35 2d8c h GLU 78 CO 0.23 0.05 -0.46 0.00 -2.18 0.00 0.00 179.01 176.65 2d8c h THR 79 N 0.08 1.33 0.00 0.32 1.03 -1.69 -2.50 112.91 111.47 2d8c h THR 79 Ca 0.69 -1.60 -0.01 0.00 -0.01 0.00 0.00 66.41 65.49 2d8c h THR 79 Cb 1.62 1.83 -0.00 0.00 -1.07 0.00 0.00 68.15 70.52 2d8c h THR 79 CO -0.79 0.46 -0.03 -0.07 -0.01 0.00 0.00 175.52 175.09 2d8c h LEU 80 N 0.05 0.00 0.00 0.00 3.38 0.24 -3.19 115.31 115.79 2d8c h LEU 80 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2d8c h LEU 80 Cb 0.83 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2d8c h LEU 80 CO 0.06 0.03 -0.84 0.29 0.09 0.00 0.00 178.44 178.07 2d8c n LYS 81 N -3.21 0.49 -0.44 1.13 4.01 -0.97 -4.10 118.16 115.06 2d8c n LYS 81 Ca -0.01 0.51 0.35 0.00 -0.51 0.00 0.00 58.31 58.65 2d8c n LYS 81 Cb 0.19 -1.69 0.55 0.00 -0.51 0.00 0.00 35.03 33.58 2d8c n LYS 81 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2d8c n MET 82 N -4.54 -0.01 0.10 1.97 0.00 -0.98 0.15 117.12 113.81 2d8c n MET 82 Ca -0.17 0.84 -0.12 0.00 0.00 0.00 0.00 57.70 58.26 2d8c n MET 82 Cb 0.43 -1.81 -0.08 0.00 0.00 0.00 0.00 33.22 31.75 2d8c n MET 82 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 2d8c h GLU 83 N 0.00 -0.30 -7.26 3.17 5.08 -1.72 -3.45 114.58 110.10 2d8c h GLU 83 Ca 0.67 0.02 -0.52 0.00 -1.00 0.00 0.00 59.36 58.53 2d8c h GLU 83 Cb 2.46 0.07 0.17 0.00 0.50 0.00 0.00 28.75 31.95 2d8c h GLU 83 CO -0.15 0.08 0.29 -1.58 -1.00 0.00 0.00 179.01 176.64 2d8c s HIS 84 N -4.02 1.95 -1.00 4.33 2.46 0.40 -4.86 115.29 114.55 2d8c s HIS 84 Ca -0.13 1.69 -0.23 0.00 0.47 0.00 0.00 55.06 56.86 2d8c s HIS 84 Cb 0.01 -3.30 0.02 0.00 -0.13 0.00 0.00 32.58 29.18 2d8c s HIS 84 CO 0.51 -2.51 1.60 -1.01 -2.47 0.00 0.00 174.74 170.85 2d8c s HIS 85 N -2.55 2.35 -0.39 3.88 3.76 -1.26 -4.94 115.29 116.14 2d8c s HIS 85 Ca 0.67 -0.47 -0.09 0.00 -0.15 0.00 0.00 55.06 55.02 2d8c s HIS 85 Cb -0.23 -4.52 0.06 0.00 1.11 0.00 0.00 32.58 29.00 2d8c s HIS 85 CO 0.54 -1.87 0.22 -1.64 -0.85 0.00 0.00 174.74 171.14 2d8c s MET 86 N 5.49 2.66 -1.53 1.40 -1.94 -1.26 -4.59 119.30 119.53 2d8c s MET 86 Ca 0.53 -1.32 -0.15 0.00 -1.71 0.00 0.00 55.69 53.05 2d8c s MET 86 Cb -0.02 -3.71 0.11 0.00 2.01 0.00 0.00 34.83 33.23 2d8c s MET 86 CO -0.06 -0.84 0.75 0.39 -0.01 0.00 0.00 175.02 175.24 2d8c n GLU 87 N 4.92 -3.87 -1.41 2.03 1.02 -1.26 -4.84 120.64 117.23 2d8c n GLU 87 Ca -0.11 0.46 -0.40 0.00 -0.02 0.00 0.00 57.16 57.09 2d8c n GLU 87 Cb 0.44 -5.24 0.01 0.00 -0.02 0.00 0.00 31.44 26.64 2d8c n GLU 87 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2d8c n ALA 88 N -4.19 -1.80 -2.33 0.62 0.00 -1.26 -4.85 120.51 106.70 2d8c n ALA 88 Ca 0.04 0.08 -0.42 0.00 0.00 0.00 0.00 53.44 53.14 2d8c n ALA 88 Cb 0.51 -1.70 -0.03 0.00 0.00 0.00 0.00 19.45 18.23 2d8c n ALA 88 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2d8c s HIS 89 N -1.63 3.12 0.83 0.00 -3.43 -1.26 -5.01 115.29 107.91 2d8c s HIS 89 Ca 0.63 1.05 -0.11 0.00 -0.80 0.00 0.00 55.06 55.83 2d8c s HIS 89 Cb -0.55 -3.54 0.09 0.00 -1.43 0.00 0.00 32.58 27.14 2d8c s HIS 89 CO 0.59 -1.86 1.09 0.15 -2.00 0.00 0.00 174.74 172.70 2d8c s LYS 90 N 1.91 1.76 -0.31 -0.38 -0.14 -1.26 -4.99 119.74 116.33 2d8c s LYS 90 Ca 0.61 0.95 0.10 0.00 -1.36 0.00 0.00 55.97 56.27 2d8c s LYS 90 Cb -0.30 -1.86 0.46 0.00 -1.68 0.00 0.00 37.83 34.46 2d8c s LYS 90 CO 0.26 -1.93 1.16 0.09 -0.76 0.00 0.00 175.35 174.18 2d8c n ASN 91 N -3.69 4.27 -4.55 2.83 3.02 -1.26 -5.03 115.26 110.85 2d8c n ASN 91 Ca 0.08 -3.44 -0.37 0.00 -0.03 0.00 0.00 54.58 50.82 2d8c n ASN 91 Cb 0.54 -0.38 -0.03 0.00 -0.61 0.00 0.00 39.78 39.30 2d8c n ASN 91 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2d8c s SER 92 N -3.61 4.64 0.00 6.41 0.15 -1.26 -4.87 113.70 115.15 2d8c s SER 92 Ca 0.46 0.89 0.00 0.00 0.70 0.00 0.00 55.95 58.00 2d8c s SER 92 Cb 0.40 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 2d8c s SER 92 CO -0.00 -2.76 0.84 0.61 1.20 0.00 0.00 173.24 173.12 2d8c n GLY 93 N 5.93 -2.59 3.56 9.45 0.00 -1.26 -4.30 105.19 115.98 2d8c n GLY 93 Ca 0.33 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 2d8c n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d8c s PRO 94 N -2.35 2.56 -0.05 1.61 0.04 -1.26 -4.94 135.00 130.60 2d8c s PRO 94 Ca 0.00 -0.13 0.05 0.00 0.04 0.00 0.00 61.00 60.96 2d8c s PRO 94 Cb 0.00 -4.95 -0.01 0.00 0.04 0.00 0.00 34.50 29.59 2d8c s PRO 94 CO 0.00 -3.27 -0.21 0.45 0.04 0.00 0.00 177.00 174.01 2d8c s SER 95 N 8.06 2.63 -1.81 6.66 0.15 -1.26 -4.74 113.70 123.39 2d8c s SER 95 Ca 0.70 -0.44 -0.19 0.00 0.70 0.00 0.00 55.95 56.72 2d8c s SER 95 Cb -0.08 -0.77 0.18 0.00 -1.71 0.00 0.00 66.02 63.65 2d8c s SER 95 CO 0.03 0.19 0.49 -1.54 1.20 0.00 0.00 173.24 173.61 2d8c n SER 96 N 3.10 -1.33 0.00 5.45 3.41 -1.26 -5.23 113.62 117.75 2d8c n SER 96 Ca -0.18 -1.24 0.00 0.00 -0.26 0.00 0.00 58.87 57.19 2d8c n SER 96 Cb 0.52 -1.68 0.00 0.00 -0.26 0.00 0.00 64.21 62.80 2d8c n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49