#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 6.60 0.23 1.61 0.15 -1.26 -4.88 113.70 116.14 2d8c s SER 2 Ca 0.00 2.39 -0.07 0.00 0.70 0.00 0.00 55.95 58.97 2d8c s SER 2 Cb 0.00 -2.53 0.39 0.00 -1.71 0.00 0.00 66.02 62.17 2d8c s SER 2 CO 0.00 -0.96 1.71 0.28 1.20 0.00 0.00 173.24 175.47 2d8c h SER 3 N 9.81 0.14 -3.28 5.45 0.02 -2.05 -3.35 113.55 120.28 2d8c h SER 3 Ca -0.43 0.11 -0.63 0.00 -0.84 0.00 0.00 61.79 60.00 2d8c h SER 3 Cb 1.20 0.12 -0.14 0.00 0.14 0.00 0.00 62.40 63.73 2d8c h SER 3 CO 0.95 0.05 0.40 -0.83 -1.14 0.00 0.00 176.83 176.26 2d8c s GLY 4 N -3.37 1.53 -0.27 -3.77 0.00 -1.26 -4.99 107.32 95.20 2d8c s GLY 4 Ca -0.13 -1.33 -0.42 0.00 0.00 0.00 0.00 44.72 42.84 2d8c s GLY 4 CO 0.75 1.86 1.56 -1.26 0.00 0.00 0.00 173.10 176.01 2d8c n SER 5 N 7.01 1.59 -4.48 1.64 2.88 -1.26 0.09 113.62 121.09 2d8c n SER 5 Ca -0.00 1.13 -0.40 0.00 -1.33 0.00 0.00 58.87 58.26 2d8c n SER 5 Cb 0.47 -1.03 -0.08 0.00 -0.75 0.00 0.00 64.21 62.82 2d8c n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2d8c n SER 6 N 4.03 -1.53 -4.70 -3.46 3.41 -1.26 -4.73 113.62 105.39 2d8c n SER 6 Ca 0.26 -1.23 -0.53 0.00 -0.26 0.00 0.00 58.87 57.11 2d8c n SER 6 Cb 0.07 -1.73 -0.06 0.00 -0.26 0.00 0.00 64.21 62.23 2d8c n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d8c n GLY 7 N -1.34 1.14 3.12 5.00 0.00 0.11 -4.90 105.19 108.33 2d8c n GLY 7 Ca 0.04 0.89 -0.32 0.00 0.00 0.00 0.00 46.02 46.64 2d8c n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2d8c n MET 8 N 5.92 -1.04 -3.07 1.61 0.00 -1.26 -4.83 117.12 114.45 2d8c n MET 8 Ca 0.25 -0.30 -0.44 0.00 0.00 0.00 0.00 57.70 57.20 2d8c n MET 8 Cb 0.21 -1.39 -0.00 0.00 0.00 0.00 0.00 33.22 32.04 2d8c n MET 8 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2d8c s LEU 9 N 2.66 5.45 0.26 4.03 1.02 -1.26 -4.86 118.68 125.98 2d8c s LEU 9 Ca 0.44 -3.20 -0.02 0.00 0.02 0.00 0.00 54.13 51.38 2d8c s LEU 9 Cb -0.02 -2.34 0.57 0.00 0.02 0.00 0.00 46.19 44.42 2d8c s LEU 9 CO 0.60 -0.60 1.68 0.77 0.02 0.00 0.00 176.35 178.82 2d8c h SER 10 N 6.98 0.07 -3.65 2.29 4.64 -2.02 -3.35 113.55 118.50 2d8c h SER 10 Ca 0.28 0.16 -0.67 0.00 -0.47 0.00 0.00 61.79 61.09 2d8c h SER 10 Cb 0.87 0.20 -0.18 0.00 -0.31 0.00 0.00 62.40 62.99 2d8c h SER 10 CO 1.18 -0.06 -0.29 0.00 -0.87 0.00 0.00 176.83 176.79 2d8c s ALA 11 N -5.99 3.49 0.11 5.18 0.00 -1.26 -4.89 121.76 118.40 2d8c s ALA 11 Ca -0.12 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.57 2d8c s ALA 11 Cb 0.23 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.51 2d8c s ALA 11 CO 0.76 -1.13 0.00 -2.13 0.00 0.00 0.00 175.76 173.26 2d8c n ARG 12 N 5.38 0.00 -1.00 0.00 0.63 -1.26 -5.08 116.66 115.34 2d8c n ARG 12 Ca -0.09 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.53 2d8c n ARG 12 Cb 0.49 -0.44 0.14 0.00 0.45 0.00 0.00 32.46 33.10 2d8c n ARG 12 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 2d8c s THR 13 N -2.00 2.68 -0.11 5.15 -1.32 -1.26 -4.98 115.64 113.79 2d8c s THR 13 Ca 0.00 0.22 0.16 0.00 -1.21 0.00 0.00 61.69 60.86 2d8c s THR 13 Cb 0.00 -2.51 0.37 0.00 -1.51 0.00 0.00 72.50 68.86 2d8c s THR 13 CO 0.00 -0.29 1.18 0.23 -2.21 0.00 0.00 174.62 173.53 2d8c n MET 14 N -3.93 0.85 -0.04 7.08 2.81 -1.26 -4.75 117.12 117.88 2d8c n MET 14 Ca 0.09 -2.57 -0.16 0.00 -1.81 0.00 0.00 57.70 53.26 2d8c n MET 14 Cb 0.53 -0.93 -0.07 0.00 -0.71 0.00 0.00 33.22 32.03 2d8c n MET 14 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2d8c h LYS 15 N 0.81 0.63 0.00 0.03 3.11 -1.91 -3.38 116.57 115.86 2d8c h LYS 15 Ca -0.08 -0.48 -0.15 0.00 -2.81 0.00 0.00 60.65 57.12 2d8c h LYS 15 Cb 1.36 0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 32.65 2d8c h LYS 15 CO 0.04 1.10 -1.05 -0.85 -2.81 0.00 0.00 179.45 175.88 2d8c n GLU 16 N -4.15 0.52 -1.77 1.90 0.00 -1.26 -2.40 120.64 113.49 2d8c n GLU 16 Ca -0.07 0.53 -0.02 0.00 0.00 0.00 0.00 57.16 57.60 2d8c n GLU 16 Cb 0.62 -1.71 -0.01 0.00 0.00 0.00 0.00 31.44 30.35 2d8c n GLU 16 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 2d8c n VAL 17 N -4.49 -0.05 -0.02 3.84 3.14 -1.26 -4.60 118.33 114.89 2d8c n VAL 17 Ca -0.24 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.11 2d8c n VAL 17 Cb 0.54 -0.25 -0.02 0.00 -1.06 0.00 0.00 33.84 33.04 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 -1.88 0.28 1.53 1.55 0.24 -1.26 -2.78 118.33 116.01 2d8c n VAL 18 Ca -0.02 -0.11 0.11 0.00 -2.04 0.00 0.00 64.34 62.27 2d8c n VAL 18 Cb 0.29 -0.69 0.48 0.00 -1.47 0.00 0.00 33.84 32.45 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 0.11 -0.46 6.34 4.01 -1.26 -1.60 117.16 121.68 2d8c n TYR 19 Ca -0.09 -0.06 -0.18 0.00 -0.16 0.00 0.00 57.90 57.42 2d8c n TYR 19 Cb 0.59 0.00 0.17 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 -0.10 -2.65 -3.93 -0.72 7.02 -1.26 -4.93 117.44 110.86 2d8c n TRP 20 Ca 0.16 -0.15 -0.22 0.00 -1.02 0.00 0.00 57.50 56.27 2d8c n TRP 20 Cb 0.24 -1.37 -0.05 0.00 -2.42 0.00 0.00 31.31 27.71 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 -2.16 4.87 0.28 -0.99 0.01 -1.26 -4.43 113.70 110.01 2d8c s SER 21 Ca 0.39 -0.74 0.24 0.00 1.31 0.00 0.00 55.95 57.15 2d8c s SER 21 Cb -0.07 -0.73 1.01 0.00 0.21 0.00 0.00 66.02 66.44 2d8c s SER 21 CO 0.34 -0.41 1.73 -0.81 0.41 0.00 0.00 173.24 174.50 2d8c n PRO 22 N -1.29 0.21 0.01 12.44 -0.04 -1.26 -2.26 135.00 142.81 2d8c n PRO 22 Ca -0.01 0.44 0.08 0.00 -0.04 0.00 0.00 63.50 63.97 2d8c n PRO 22 Cb 0.61 -1.90 -0.12 0.00 -0.04 0.00 0.00 33.50 32.05 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 -0.07 0.54 4.01 -1.26 -4.42 118.16 115.32 2d8c n LYS 23 Ca 0.02 -0.07 -0.10 0.00 -0.51 0.00 0.00 58.31 57.65 2d8c n LYS 23 Cb 0.23 -1.62 -0.09 0.00 -0.51 0.00 0.00 35.03 33.04 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 0.00 -1.23 1.97 1.63 -1.84 -3.29 116.57 113.81 2d8c h LYS 24 Ca -0.07 0.00 0.44 0.00 -0.85 0.00 0.00 60.65 60.17 2d8c h LYS 24 Cb 1.18 0.00 -0.14 0.00 -0.60 0.00 0.00 32.23 32.67 2d8c h LYS 24 CO 0.01 0.67 0.77 0.28 -3.45 0.00 0.00 179.45 177.73 2d8c n VAL 25 N -4.64 -0.28 0.27 2.00 0.31 -0.96 -0.22 118.33 114.81 2d8c n VAL 25 Ca -0.09 1.77 -0.12 0.00 -0.01 0.00 0.00 64.34 65.89 2d8c n VAL 25 Cb 0.36 -2.90 -0.06 0.00 -0.91 0.00 0.00 33.84 30.32 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 1.61 -0.74 -1.23 3.52 0.00 -1.77 -3.12 119.26 117.54 2d8c h ALA 26 Ca 0.83 -0.18 0.42 0.00 0.00 0.00 0.00 54.91 55.98 2d8c h ALA 26 Cb 2.58 0.29 -0.14 0.00 0.00 0.00 0.00 17.79 20.51 2d8c h ALA 26 CO -0.52 -0.70 0.76 -0.44 0.00 0.00 0.00 179.25 178.35 2d8c h ASP 27 N -1.16 0.29 -0.54 0.00 5.19 -0.66 1.39 116.42 120.94 2d8c h ASP 27 Ca -0.08 0.16 -0.06 0.00 -0.62 0.00 0.00 57.03 56.44 2d8c h ASP 27 Cb 0.60 0.15 -0.03 0.00 0.18 0.00 0.00 39.33 40.23 2d8c h ASP 27 CO 0.12 -0.22 0.12 -0.25 -3.12 0.00 0.00 179.24 175.90 2d8c h TRP 28 N 0.10 0.95 0.50 4.55 7.01 -1.38 -1.78 115.95 125.91 2d8c h TRP 28 Ca 0.81 -0.10 -0.02 0.00 2.11 0.00 0.00 58.89 61.68 2d8c h TRP 28 Cb 2.40 -0.27 0.00 0.00 -2.10 0.00 0.00 29.16 29.20 2d8c h TRP 28 CO -0.01 0.80 -0.24 -0.07 -2.79 0.00 0.00 178.44 176.14 2d8c h LEU 29 N 0.87 -0.57 -1.71 0.65 3.38 0.19 -3.03 115.31 115.10 2d8c h LEU 29 Ca 0.18 0.02 0.23 0.00 0.09 0.00 0.00 57.88 58.41 2d8c h LEU 29 Cb 0.35 0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 2d8c h LEU 29 CO 0.00 -0.35 0.62 -0.07 0.09 0.00 0.00 178.44 178.74 2d8c h LEU 30 N -0.79 0.23 -2.08 1.67 -0.00 -1.51 0.36 115.31 113.19 2d8c h LEU 30 Ca -0.07 0.03 0.10 0.00 -0.00 0.00 0.00 57.88 57.94 2d8c h LEU 30 Cb 0.52 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.15 2d8c h LEU 30 CO 0.11 0.08 0.33 -0.08 -0.00 0.00 0.00 178.44 178.88 2d8c h GLU 31 N 0.22 0.00 -0.12 1.13 4.57 -1.19 0.12 114.58 119.31 2d8c h GLU 31 Ca 0.46 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.64 2d8c h GLU 31 Cb 1.44 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.03 2d8c h GLU 31 CO -0.11 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 177.81 2d8c n ASN 32 N -3.93 2.72 -2.32 1.04 3.02 0.12 -4.98 115.26 110.92 2d8c n ASN 32 Ca 0.05 -2.59 -0.09 0.00 -0.03 0.00 0.00 54.58 51.92 2d8c n ASN 32 Cb 0.49 -0.31 0.05 0.00 -0.61 0.00 0.00 39.78 39.40 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 -0.63 -1.11 -2.49 5.41 0.00 0.41 -4.98 120.51 117.12 2d8c n ALA 33 Ca 0.12 -0.03 -0.20 0.00 0.00 0.00 0.00 53.44 53.33 2d8c n ALA 33 Cb 0.56 -1.58 0.01 0.00 0.00 0.00 0.00 19.45 18.44 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 -2.70 2.74 0.01 0.00 2.81 -0.55 -4.83 117.12 114.60 2d8c n MET 34 Ca -0.15 -4.07 0.07 0.00 -1.81 0.00 0.00 57.70 51.74 2d8c n MET 34 Cb 0.59 -1.94 0.32 0.00 -0.71 0.00 0.00 33.22 31.48 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 -0.41 0.02 0.15 0.03 -0.04 -1.26 -2.47 135.00 131.03 2d8c n PRO 35 Ca 0.30 0.28 0.02 0.00 -0.04 0.00 0.00 63.50 64.05 2d8c n PRO 35 Cb 0.75 -1.54 0.16 0.00 -0.04 0.00 0.00 33.50 32.83 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 -3.03 114.58 119.23 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 0.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.36 2d8c h GLU 36 CO 0.00 0.55 -0.59 0.66 0.05 0.00 0.00 179.01 179.67 2d8c n TYR 37 N -3.48 0.06 -0.30 2.06 4.01 -1.03 -4.08 117.16 114.39 2d8c n TYR 37 Ca 0.00 0.02 0.02 0.00 -0.16 0.00 0.00 57.90 57.77 2d8c n TYR 37 Cb 0.65 -0.26 0.21 0.00 -0.31 0.00 0.00 39.34 39.62 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 1.12 -1.19 0.00 0.00 5.08 -1.73 1.35 114.58 119.20 2d8c h GLU 39 Ca 0.36 0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 2d8c h GLU 39 Cb 0.02 0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2d8c h GLU 39 CO -0.11 -0.80 0.00 -1.00 -1.00 0.00 0.00 179.01 176.11 2d8c h PRO 40 N -1.24 0.00 -0.47 2.33 0.13 -1.76 -2.53 132.00 128.46 2d8c h PRO 40 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 2d8c h PRO 40 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2d8c h PRO 40 CO 0.12 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.17 2d8c n LEU 41 N -2.94 3.28 -0.33 1.56 4.77 0.99 -4.56 117.00 119.77 2d8c n LEU 41 Ca 0.01 -2.02 0.00 0.00 -0.03 0.00 0.00 56.01 53.97 2d8c n LEU 41 Cb 0.28 -0.32 0.14 0.00 -2.33 0.00 0.00 43.42 41.19 2d8c n LEU 41 CO 0.26 0.81 1.23 1.05 -1.33 0.00 0.00 177.39 179.40 2d8c h GLU 42 N 2.72 1.06 -0.47 3.23 4.11 0.23 -2.02 114.58 123.44 2d8c h GLU 42 Ca 0.00 -0.06 -0.18 0.00 0.07 0.00 0.00 59.36 59.19 2d8c h GLU 42 Cb 0.83 -0.24 -0.11 0.00 0.50 0.00 0.00 28.75 29.74 2d8c h GLU 42 CO 0.01 0.70 0.09 -2.39 0.07 0.00 0.00 179.01 177.49 2d8c n HIS 43 N -4.55 1.52 -3.67 2.06 1.44 -1.26 -4.70 115.22 106.06 2d8c n HIS 43 Ca 0.13 -1.37 -0.33 0.00 -2.01 0.00 0.00 57.72 54.14 2d8c n HIS 43 Cb 0.14 -0.53 -0.05 0.00 0.12 0.00 0.00 29.99 29.67 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 -3.10 3.53 0.03 -1.40 0.40 -0.76 -4.99 117.98 111.70 2d8c s PHE 44 Ca 0.47 0.62 0.05 0.00 -0.60 0.00 0.00 56.93 57.47 2d8c s PHE 44 Cb 0.40 -2.04 -0.03 0.00 0.51 0.00 0.00 43.02 41.86 2d8c s PHE 44 CO 0.06 0.50 -0.09 0.95 0.70 0.00 0.00 175.22 177.34 2d8c s THR 45 N -1.50 3.47 0.25 0.64 -4.23 -1.26 -4.24 115.64 108.78 2d8c s THR 45 Ca 0.35 -0.95 0.15 0.00 -1.18 0.00 0.00 61.69 60.07 2d8c s THR 45 Cb -0.13 -2.53 0.25 0.00 1.34 0.00 0.00 72.50 71.43 2d8c s THR 45 CO 0.21 0.32 1.03 0.61 -0.54 0.00 0.00 174.62 176.24 2d8c n GLY 46 N 1.34 -0.50 0.15 3.99 0.00 -1.26 0.14 105.19 109.05 2d8c n GLY 46 Ca -0.15 0.52 -0.13 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.26 -0.74 1.61 5.75 -1.11 -2.30 115.11 118.05 2d8c h GLN 47 Ca 0.56 0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 59.04 2d8c h GLN 47 Cb 1.55 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 30.12 2d8c h GLN 47 CO -0.46 0.07 0.31 -0.44 -2.65 0.00 0.00 178.83 175.66 2d8c h ASP 48 N -0.63 1.01 -0.30 -0.69 5.19 0.93 -2.22 116.42 119.72 2d8c h ASP 48 Ca -0.03 -0.17 0.04 0.00 -0.62 0.00 0.00 57.03 56.26 2d8c h ASP 48 Cb 0.45 -0.26 -0.04 0.00 0.18 0.00 0.00 39.33 39.66 2d8c h ASP 48 CO 0.05 0.90 0.04 0.25 -3.12 0.00 0.00 179.24 177.36 2d8c h LEU 49 N 1.06 -0.02 -1.75 1.55 6.46 -0.59 -0.37 115.31 121.65 2d8c h LEU 49 Ca 0.25 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 58.06 2d8c h LEU 49 Cb 0.20 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.20 2d8c h LEU 49 CO -0.02 0.02 0.00 0.16 -0.62 0.00 0.00 178.44 177.98 2d8c h ILE 50 N 0.14 0.00 -0.19 4.05 3.07 -1.22 -2.13 117.51 121.23 2d8c h ILE 50 Ca 0.14 -0.39 0.00 0.00 1.55 0.00 0.00 64.86 66.16 2d8c h ILE 50 Cb 0.16 1.37 0.00 0.00 -0.27 0.00 0.00 36.82 38.08 2d8c h ILE 50 CO -0.20 0.00 0.00 0.59 -1.05 0.00 0.00 178.15 177.49 2d8c n ASN 51 N -3.04 1.77 -4.79 2.16 3.02 -0.16 -4.87 115.26 109.36 2d8c n ASN 51 Ca -0.00 -2.14 -0.39 0.00 -0.03 0.00 0.00 54.58 52.02 2d8c n ASN 51 Cb 0.25 -0.35 -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 -0.90 4.53 0.14 3.41 1.43 -0.80 -5.04 118.68 121.45 2d8c s LEU 52 Ca 0.15 1.39 0.01 0.00 -1.03 0.00 0.00 54.13 54.66 2d8c s LEU 52 Cb 0.10 -3.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.22 2d8c s LEU 52 CO 0.07 0.22 -0.01 0.42 0.23 0.00 0.00 176.35 177.28 2d8c s THR 53 N -0.95 0.61 0.49 5.49 -4.23 -1.26 -5.02 115.64 110.77 2d8c s THR 53 Ca 0.32 -1.96 0.25 0.00 -1.18 0.00 0.00 61.69 59.12 2d8c s THR 53 Cb -0.21 -1.97 0.42 0.00 1.34 0.00 0.00 72.50 72.08 2d8c s THR 53 CO 0.21 -0.60 1.90 -0.61 -0.54 0.00 0.00 174.62 174.99 2d8c h GLN 54 N 2.80 0.16 0.00 3.99 4.15 -1.95 0.57 115.11 124.83 2d8c h GLN 54 Ca -0.36 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.02 2d8c h GLN 54 Cb 1.19 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.84 2d8c h GLN 54 CO 0.63 0.10 -0.16 1.05 -1.93 0.00 0.00 178.83 178.53 2d8c h GLU 55 N 0.16 0.00 0.00 1.69 4.11 -1.97 -1.95 114.58 116.62 2d8c h GLU 55 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.83 2d8c h GLU 55 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2d8c h GLU 55 CO -0.07 0.16 0.00 -0.25 0.07 0.00 0.00 179.01 178.92 2d8c n ASP 56 N -3.44 0.00 -0.00 3.06 8.00 0.20 -3.38 116.55 120.99 2d8c n ASP 56 Ca -0.01 0.35 -0.22 0.00 0.71 0.00 0.00 54.79 55.63 2d8c n ASP 56 Cb 0.33 -0.45 -0.14 0.00 -0.02 0.00 0.00 41.12 40.85 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 0.45 0.00 1.24 -1.00 -1.34 -3.34 116.94 112.95 2d8c h PHE 57 Ca 0.00 -0.33 0.00 0.00 2.81 0.00 0.00 57.97 60.45 2d8c h PHE 57 Cb 0.40 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.94 2d8c h PHE 57 CO 0.00 1.73 0.20 1.57 -1.61 0.00 0.00 178.31 180.20 2d8c h LYS 58 N -0.08 0.00 -5.16 1.51 2.10 -1.56 -3.32 116.57 110.06 2d8c h LYS 58 Ca -0.40 0.00 -0.37 0.00 -2.00 0.00 0.00 60.65 57.87 2d8c h LYS 58 Cb 1.93 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 33.12 2d8c h LYS 58 CO 0.06 0.00 -0.69 -1.59 -2.00 0.00 0.00 179.45 175.23 2d8c s LYS 59 N -3.73 1.24 0.83 0.07 -2.85 -1.25 -5.00 119.74 109.05 2d8c s LYS 59 Ca -0.03 -1.59 -0.11 0.00 -1.00 0.00 0.00 55.97 53.25 2d8c s LYS 59 Cb 0.07 -0.71 0.09 0.00 -2.06 0.00 0.00 37.83 35.22 2d8c s LYS 59 CO 0.23 0.01 1.09 -1.25 0.10 0.00 0.00 175.35 175.53 2d8c s PRO 60 N -3.78 1.76 0.12 1.78 0.04 -1.26 -3.58 135.00 130.08 2d8c s PRO 60 Ca 0.23 1.00 -0.13 0.00 0.04 0.00 0.00 61.00 62.14 2d8c s PRO 60 Cb 0.04 -1.85 -0.07 0.00 0.04 0.00 0.00 34.50 32.66 2d8c s PRO 60 CO 0.06 -1.94 1.45 -1.00 0.04 0.00 0.00 177.00 175.60 2d8c h PRO 61 N -1.34 0.82 -5.60 0.56 0.13 -1.96 -3.48 132.00 121.13 2d8c h PRO 61 Ca -0.46 -0.43 -0.47 0.00 -0.87 0.00 0.00 66.00 63.77 2d8c h PRO 61 Cb 1.26 0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.41 2d8c h PRO 61 CO 0.53 1.06 1.64 1.28 -0.23 0.00 0.00 178.00 182.28 2d8c n LEU 62 N -4.17 2.28 -3.71 1.56 4.77 -1.23 -4.89 117.00 111.60 2d8c n LEU 62 Ca -0.03 -0.46 -0.11 0.00 -0.03 0.00 0.00 56.01 55.38 2d8c n LEU 62 Cb 0.51 -1.56 -0.12 0.00 -2.33 0.00 0.00 43.42 39.92 2d8c n LEU 62 CO 0.47 -1.51 -0.01 -0.47 -1.33 0.00 0.00 177.39 174.54 2d8c s TYR 63 N 11.97 -0.49 -1.11 -1.77 5.04 -1.25 -3.91 117.35 125.83 2d8c s TYR 63 Ca 1.00 1.09 0.00 0.00 -2.44 0.00 0.00 57.07 56.72 2d8c s TYR 63 Cb -0.22 0.18 0.00 0.00 0.35 0.00 0.00 41.96 42.27 2d8c s TYR 63 CO 0.27 -0.29 0.00 0.54 -1.34 0.00 0.00 175.55 174.73 2d8c n ARG 64 N 4.13 -2.08 0.10 4.97 5.12 -1.26 -4.81 116.66 122.83 2d8c n ARG 64 Ca -0.23 0.62 -0.02 0.00 -1.93 0.00 0.00 57.85 56.29 2d8c n ARG 64 Cb 0.55 -5.17 0.20 0.00 -1.16 0.00 0.00 32.46 26.88 2d8c n ARG 64 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2d8c h VAL 65 N 0.00 1.34 -3.89 1.55 2.07 -1.92 -3.45 116.25 111.94 2d8c h VAL 65 Ca -0.29 -1.66 -0.27 0.00 0.82 0.00 0.00 66.70 65.30 2d8c h VAL 65 Cb 1.16 1.80 -0.19 0.00 -1.52 0.00 0.00 31.29 32.54 2d8c h VAL 65 CO 0.35 0.49 -0.72 -0.55 0.02 0.00 0.00 177.57 177.16 2d8c s SER 66 N -6.88 1.05 0.26 0.57 0.15 -1.26 -4.96 113.70 102.63 2d8c s SER 66 Ca -0.04 -0.72 0.06 0.00 0.70 0.00 0.00 55.95 55.94 2d8c s SER 66 Cb 0.13 0.05 0.33 0.00 -1.71 0.00 0.00 66.02 64.81 2d8c s SER 66 CO 0.77 -0.28 1.61 0.28 1.20 0.00 0.00 173.24 176.82 2d8c h SER 67 N 3.91 0.24 -0.16 5.45 0.02 -2.01 -3.05 113.55 117.95 2d8c h SER 67 Ca -0.36 -0.12 -0.10 0.00 -0.84 0.00 0.00 61.79 60.37 2d8c h SER 67 Cb 1.19 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 63.61 2d8c h SER 67 CO 0.49 0.73 0.12 0.47 -1.14 0.00 0.00 176.83 177.51 2d8c n ASP 68 N -3.92 4.51 -1.98 3.07 8.00 -1.26 -4.74 116.55 120.24 2d8c n ASP 68 Ca -0.02 -2.46 -0.17 0.00 0.71 0.00 0.00 54.79 52.86 2d8c n ASP 68 Cb 0.57 -0.85 -0.04 0.00 -0.02 0.00 0.00 41.12 40.79 2d8c n ASP 68 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2d8c n ASN 69 N 0.70 -4.64 -0.39 -2.24 3.02 -1.15 -0.29 115.26 110.27 2d8c n ASN 69 Ca 0.10 0.24 -0.04 0.00 -0.03 0.00 0.00 54.58 54.85 2d8c n ASN 69 Cb 0.60 -4.04 -0.01 0.00 -0.61 0.00 0.00 39.78 35.72 2d8c n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2d8c n GLY 70 N -0.62 0.53 0.24 7.41 0.00 -1.25 -4.94 105.19 106.56 2d8c n GLY 70 Ca -0.18 -0.82 -0.08 0.00 0.00 0.00 0.00 46.02 44.94 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 0.77 -0.07 1.61 5.75 -1.01 -2.88 115.11 119.28 2d8c h GLN 71 Ca -0.09 -0.16 0.01 0.00 -0.15 0.00 0.00 58.65 58.26 2d8c h GLN 71 Cb 0.56 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.97 2d8c h GLN 71 CO 0.13 0.71 -0.20 -0.09 -2.65 0.00 0.00 178.83 176.73 2d8c h ARG 72 N 0.68 -0.18 -0.57 1.69 2.43 -1.92 0.32 114.38 116.82 2d8c h ARG 72 Ca 0.16 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.46 2d8c h ARG 72 Cb 0.25 0.04 -0.11 0.00 -0.42 0.00 0.00 29.97 29.73 2d8c h ARG 72 CO -0.01 -0.12 -0.24 1.25 -1.51 0.00 0.00 179.97 179.34 2d8c h LEU 73 N -0.19 -0.86 -0.16 3.80 5.85 -1.98 -0.25 115.31 121.53 2d8c h LEU 73 Ca 0.01 0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.98 2d8c h LEU 73 Cb 0.23 0.47 -0.07 0.00 0.37 0.00 0.00 40.66 41.67 2d8c h LEU 73 CO -0.17 -0.26 -0.49 -0.07 -0.34 0.00 0.00 178.44 177.11 2d8c h LEU 74 N -0.10 -1.54 -2.26 2.25 3.38 -1.19 0.35 115.31 116.20 2d8c h LEU 74 Ca 0.26 0.19 0.05 0.00 0.09 0.00 0.00 57.88 58.47 2d8c h LEU 74 Cb 0.51 0.62 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2d8c h LEU 74 CO -0.64 -0.45 0.19 0.44 0.09 0.00 0.00 178.44 178.06 2d8c h ASP 75 N -0.53 0.00 1.20 -0.43 3.32 -0.04 0.29 116.42 120.23 2d8c h ASP 75 Ca 0.06 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.95 2d8c h ASP 75 Cb 0.65 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 2d8c h ASP 75 CO -0.44 0.00 -0.81 0.24 -1.72 0.00 0.00 179.24 176.51 2d8c h MET 76 N 0.00 0.00 0.14 3.56 2.86 0.13 -3.34 114.93 118.27 2d8c h MET 76 Ca 0.08 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.39 2d8c h MET 76 Cb 0.45 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 2d8c h MET 76 CO -0.00 0.75 -1.65 0.82 1.06 0.00 0.00 176.91 177.89 2d8c h ILE 77 N 0.00 0.90 -0.96 -1.22 2.04 0.22 -3.36 117.51 115.14 2d8c h ILE 77 Ca -0.02 -2.42 0.30 0.00 1.00 0.00 0.00 64.86 63.72 2d8c h ILE 77 Cb 1.60 2.67 -0.17 0.00 -0.74 0.00 0.00 36.82 40.18 2d8c h ILE 77 CO 0.10 0.79 0.23 -0.08 0.00 0.00 0.00 178.15 179.18 2d8c h GLU 78 N -0.11 0.08 -0.09 2.37 4.22 -0.70 1.56 114.58 121.91 2d8c h GLU 78 Ca -0.35 -0.00 -0.06 0.00 0.08 0.00 0.00 59.36 59.03 2d8c h GLU 78 Cb 1.92 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.14 2d8c h GLU 78 CO 0.10 0.05 -0.23 0.00 -2.18 0.00 0.00 179.01 176.75 2d8c h THR 79 N 0.08 1.21 0.00 0.32 1.03 -1.71 -1.79 112.91 112.04 2d8c h THR 79 Ca 0.65 -0.96 -0.02 0.00 -0.01 0.00 0.00 66.41 66.06 2d8c h THR 79 Cb 1.44 1.40 -0.00 0.00 -1.07 0.00 0.00 68.15 69.92 2d8c h THR 79 CO -0.79 0.29 -0.11 -0.07 -0.01 0.00 0.00 175.52 174.82 2d8c h LEU 80 N 0.13 0.00 0.00 0.00 3.38 0.21 -3.16 115.31 115.87 2d8c h LEU 80 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2d8c h LEU 80 Cb 0.49 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2d8c h LEU 80 CO 0.03 0.11 -0.51 0.11 0.09 0.00 0.00 178.44 178.27 2d8c h LYS 81 N 0.00 0.00 -1.02 1.13 6.56 -0.96 -3.34 116.57 118.94 2d8c h LYS 81 Ca -0.00 0.00 0.35 0.00 -1.06 0.00 0.00 60.65 59.93 2d8c h LYS 81 Cb 0.40 0.00 -0.10 0.00 -0.57 0.00 0.00 32.23 31.96 2d8c h LYS 81 CO 0.01 0.03 0.66 0.00 -2.06 0.00 0.00 179.45 178.09 2d8c n MET 82 N -4.62 -0.02 -0.01 3.15 0.00 -0.74 0.21 117.12 115.09 2d8c n MET 82 Ca -0.08 0.88 -0.13 0.00 0.00 0.00 0.00 57.70 58.37 2d8c n MET 82 Cb 0.27 -1.75 -0.10 0.00 0.00 0.00 0.00 33.22 31.64 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 -0.02 -6.75 3.17 4.39 -1.72 -3.45 114.58 110.20 2d8c h GLU 83 Ca 0.63 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.86 2d8c h GLU 83 Cb 2.07 0.00 0.23 0.00 -0.10 0.00 0.00 28.75 30.96 2d8c h GLU 83 CO -0.30 0.45 -0.87 1.58 -1.16 0.00 0.00 179.01 178.71 2d8c n HIS 84 N -4.87 -1.38 -0.74 4.33 -0.00 0.57 -4.76 115.22 108.37 2d8c n HIS 84 Ca -0.08 0.12 -0.07 0.00 0.46 0.00 0.00 57.72 58.14 2d8c n HIS 84 Cb 0.25 -1.62 -0.10 0.00 -0.12 0.00 0.00 29.99 28.40 2d8c n HIS 84 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2d8c n HIS 85 N -4.38 0.00 -3.26 1.57 -0.00 -1.26 -4.78 115.22 103.10 2d8c n HIS 85 Ca 0.02 -1.18 -0.46 0.00 -0.00 0.00 0.00 57.72 56.10 2d8c n HIS 85 Cb 0.60 -1.13 -0.04 0.00 -0.00 0.00 0.00 29.99 29.42 2d8c n HIS 85 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2d8c s MET 86 N 0.90 3.11 -0.59 -0.41 -1.94 -1.26 -4.92 119.30 114.19 2d8c s MET 86 Ca 0.39 -1.74 -0.02 0.00 -1.71 0.00 0.00 55.69 52.61 2d8c s MET 86 Cb 0.19 -4.33 0.38 0.00 2.01 0.00 0.00 34.83 33.09 2d8c s MET 86 CO 0.00 -1.38 2.05 0.39 -0.01 0.00 0.00 175.02 176.07 2d8c n GLU 87 N 5.32 2.48 -3.45 2.03 4.71 -1.26 -4.88 120.64 125.58 2d8c n GLU 87 Ca -0.08 -2.87 -0.38 0.00 -0.01 0.00 0.00 57.16 53.82 2d8c n GLU 87 Cb 0.42 -2.13 -0.06 0.00 -1.01 0.00 0.00 31.44 28.66 2d8c n GLU 87 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2d8c s ALA 88 N -3.33 3.67 0.93 0.62 0.00 -1.26 -5.04 121.76 117.34 2d8c s ALA 88 Ca 0.56 -0.17 -0.16 0.00 0.00 0.00 0.00 51.96 52.19 2d8c s ALA 88 Cb 0.44 -2.44 -0.11 0.00 0.00 0.00 0.00 23.12 21.01 2d8c s ALA 88 CO -0.03 0.47 -0.45 -2.39 0.00 0.00 0.00 175.76 173.36 2d8c n HIS 89 N 1.64 -4.10 -3.01 0.00 1.44 -1.26 -4.85 115.22 105.07 2d8c n HIS 89 Ca -0.12 0.08 -0.44 0.00 -2.01 0.00 0.00 57.72 55.23 2d8c n HIS 89 Cb 0.52 -1.54 -0.05 0.00 0.12 0.00 0.00 29.99 29.04 2d8c n HIS 89 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 2d8c s LYS 90 N -2.24 3.10 0.56 -1.40 -0.14 -1.26 -5.03 119.74 113.33 2d8c s LYS 90 Ca 0.46 -1.01 -0.18 0.00 -1.36 0.00 0.00 55.97 53.88 2d8c s LYS 90 Cb -0.22 -4.21 -0.14 0.00 -1.68 0.00 0.00 37.83 31.58 2d8c s LYS 90 CO 0.77 -1.58 -0.07 0.09 -0.76 0.00 0.00 175.35 173.81 2d8c n ASN 91 N 6.85 -3.43 -4.79 2.83 4.13 -1.26 -4.93 115.26 114.66 2d8c n ASN 91 Ca -0.06 0.63 -0.36 0.00 1.68 0.00 0.00 54.58 56.46 2d8c n ASN 91 Cb 0.44 -0.90 -0.07 0.00 -1.54 0.00 0.00 39.78 37.72 2d8c n ASN 91 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2d8c s SER 92 N -1.04 6.40 0.18 6.41 0.15 -1.26 -5.09 113.70 119.45 2d8c s SER 92 Ca 0.57 0.47 0.03 0.00 0.70 0.00 0.00 55.95 57.72 2d8c s SER 92 Cb -0.46 -2.13 -0.01 0.00 -1.71 0.00 0.00 66.02 61.71 2d8c s SER 92 CO 0.66 0.25 0.09 0.61 1.20 0.00 0.00 173.24 176.05 2d8c n GLY 93 N 2.77 3.63 3.74 9.45 0.00 -1.26 -5.16 105.19 118.36 2d8c n GLY 93 Ca -0.16 -1.92 -0.30 0.00 0.00 0.00 0.00 46.02 43.64 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 -2.70 1.75 0.72 1.61 0.04 -1.26 -5.03 135.00 130.14 2d8c s PRO 94 Ca 0.13 1.00 -0.11 0.00 0.04 0.00 0.00 61.00 62.06 2d8c s PRO 94 Cb 0.01 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.72 2d8c s PRO 94 CO 0.09 -1.95 1.07 0.45 0.04 0.00 0.00 177.00 176.71 2d8c s SER 95 N -3.41 5.12 -0.10 6.66 0.15 -1.26 -5.06 113.70 115.80 2d8c s SER 95 Ca 0.62 1.60 0.02 0.00 0.70 0.00 0.00 55.95 58.90 2d8c s SER 95 Cb -0.18 -2.43 0.01 0.00 -1.71 0.00 0.00 66.02 61.71 2d8c s SER 95 CO 0.56 -1.61 -0.16 -0.94 1.20 0.00 0.00 173.24 172.29 2d8c s SER 96 N -3.75 2.41 0.00 5.45 1.04 -1.26 -5.31 113.70 112.28 2d8c s SER 96 Ca 0.59 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.59 2d8c s SER 96 Cb -0.15 -1.09 0.00 0.00 0.10 0.00 0.00 66.02 64.88 2d8c s SER 96 CO 0.55 0.05 0.00 0.61 0.98 0.00 0.00 173.24 175.43