#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8c n SER 2 N 0.00 7.57 -4.81 1.61 2.88 -1.26 -5.00 113.62 114.61 2d8c n SER 2 Ca 0.00 -3.75 -0.31 0.00 -1.33 0.00 0.00 58.87 53.48 2d8c n SER 2 Cb 0.00 -1.02 0.07 0.00 -0.75 0.00 0.00 64.21 62.51 2d8c n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2d8c s SER 3 N -1.44 4.99 -0.02 -3.46 0.01 -1.26 -5.01 113.70 107.51 2d8c s SER 3 Ca 0.59 1.53 -0.21 0.00 1.31 0.00 0.00 55.95 59.17 2d8c s SER 3 Cb 0.47 -2.35 -0.14 0.00 0.21 0.00 0.00 66.02 64.21 2d8c s SER 3 CO -0.14 -1.68 0.95 1.23 0.41 0.00 0.00 173.24 174.01 2d8c h GLY 4 N -0.88 -0.44 -3.84 3.44 0.00 -2.08 -3.45 103.07 95.82 2d8c h GLY 4 Ca -0.45 0.16 -0.55 0.00 0.00 0.00 0.00 47.33 46.49 2d8c h GLY 4 CO 0.57 -0.16 -0.51 -0.56 0.00 0.00 0.00 176.54 175.88 2d8c s SER 5 N -5.14 5.94 -0.06 0.19 0.01 -1.26 -5.12 113.70 108.26 2d8c s SER 5 Ca -0.12 0.01 -0.17 0.00 1.31 0.00 0.00 55.95 56.98 2d8c s SER 5 Cb 0.01 -1.68 0.03 0.00 0.21 0.00 0.00 66.02 64.60 2d8c s SER 5 CO 0.44 0.05 0.40 -0.94 0.41 0.00 0.00 173.24 173.59 2d8c s SER 6 N -3.24 -0.33 0.00 2.44 1.04 -1.26 -5.09 113.70 107.26 2d8c s SER 6 Ca 0.33 0.39 0.00 0.00 0.48 0.00 0.00 55.95 57.15 2d8c s SER 6 Cb -0.10 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.51 2d8c s SER 6 CO 0.26 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.70 2d8c n GLY 7 N 1.65 2.70 3.33 7.32 0.00 -1.26 -5.08 105.19 113.86 2d8c n GLY 7 Ca -0.19 -1.95 -0.31 0.00 0.00 0.00 0.00 46.02 43.57 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 -2.93 2.05 -0.81 1.61 1.00 -1.26 -5.04 119.30 113.92 2d8c s MET 8 Ca 0.00 -0.97 -0.26 0.00 0.00 0.00 0.00 55.69 54.47 2d8c s MET 8 Cb 0.00 -2.04 -0.18 0.00 0.00 0.00 0.00 34.83 32.61 2d8c s MET 8 CO 0.00 0.55 2.50 1.28 0.00 0.00 0.00 175.02 179.35 2d8c n LEU 9 N 2.26 0.87 -4.91 -0.03 4.77 -1.26 -4.89 117.00 113.81 2d8c n LEU 9 Ca -0.16 -0.34 -0.20 0.00 -0.03 0.00 0.00 56.01 55.28 2d8c n LEU 9 Cb 0.51 -1.17 -0.02 0.00 -2.33 0.00 0.00 43.42 40.41 2d8c n LEU 9 CO 0.23 -1.32 0.00 -0.94 -1.33 0.00 0.00 177.39 174.04 2d8c s SER 10 N 9.02 5.37 0.30 -1.43 1.04 -1.26 -4.40 113.70 122.35 2d8c s SER 10 Ca 1.18 -0.52 0.02 0.00 0.48 0.00 0.00 55.95 57.12 2d8c s SER 10 Cb -0.72 -0.83 -0.05 0.00 0.10 0.00 0.00 66.02 64.53 2d8c s SER 10 CO 0.38 -0.53 0.10 0.00 0.98 0.00 0.00 173.24 174.17 2d8c s ALA 11 N -2.35 2.06 -0.09 5.32 0.00 -1.26 -5.09 121.76 120.35 2d8c s ALA 11 Ca 0.46 -1.82 -0.08 0.00 0.00 0.00 0.00 51.96 50.52 2d8c s ALA 11 Cb -0.06 0.94 -0.05 0.00 0.00 0.00 0.00 23.12 23.95 2d8c s ALA 11 CO 0.29 -0.42 -0.17 -2.13 0.00 0.00 0.00 175.76 173.33 2d8c n ARG 12 N -0.59 0.27 -2.98 0.00 0.63 -1.26 -5.00 116.66 107.73 2d8c n ARG 12 Ca -0.01 0.12 -0.40 0.00 -0.92 0.00 0.00 57.85 56.64 2d8c n ARG 12 Cb 0.66 -0.97 -0.05 0.00 0.45 0.00 0.00 32.46 32.55 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 -2.33 4.72 -2.36 5.15 -1.32 -1.26 -4.95 115.64 113.28 2d8c s THR 13 Ca -0.17 1.64 0.22 0.00 -1.21 0.00 0.00 61.69 62.17 2d8c s THR 13 Cb 0.05 -4.12 0.44 0.00 -1.51 0.00 0.00 72.50 67.36 2d8c s THR 13 CO 0.22 0.37 1.45 0.80 -2.21 0.00 0.00 174.62 175.25 2d8c n MET 14 N 2.77 2.22 -0.15 7.08 1.56 -1.26 -4.33 117.12 125.00 2d8c n MET 14 Ca -0.02 -1.84 0.26 0.00 -0.27 0.00 0.00 57.70 55.82 2d8c n MET 14 Cb 0.50 -1.46 0.70 0.00 2.15 0.00 0.00 33.22 35.11 2d8c n MET 14 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 2d8c h LYS 15 N 3.57 0.03 0.00 2.12 3.11 -1.92 -2.96 116.57 120.52 2d8c h LYS 15 Ca 0.00 -0.00 -0.27 0.00 -2.81 0.00 0.00 60.65 57.57 2d8c h LYS 15 Cb 0.79 -0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.97 2d8c h LYS 15 CO 0.00 0.02 -1.82 -0.85 -2.81 0.00 0.00 179.45 174.00 2d8c n GLU 16 N -4.31 0.56 -1.68 1.90 0.28 -1.26 -3.08 120.64 113.05 2d8c n GLU 16 Ca 0.17 0.28 0.00 0.00 -0.16 0.00 0.00 57.16 57.45 2d8c n GLU 16 Cb 0.87 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 32.24 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 -4.36 0.00 -0.03 3.84 3.14 -1.12 -4.56 118.33 115.24 2d8c n VAL 17 Ca -0.37 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 60.97 2d8c n VAL 17 Cb 0.71 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.47 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 -1.67 0.36 1.76 1.55 0.24 -1.26 -3.11 118.33 116.20 2d8c n VAL 18 Ca 0.00 -0.13 0.10 0.00 -2.04 0.00 0.00 64.34 62.26 2d8c n VAL 18 Cb 0.24 -0.82 0.49 0.00 -1.47 0.00 0.00 33.84 32.28 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 -2.75 0.07 -0.73 6.34 4.01 -1.26 -0.60 117.16 122.23 2d8c n TYR 19 Ca -0.11 -0.03 -0.33 0.00 -0.16 0.00 0.00 57.90 57.27 2d8c n TYR 19 Cb 0.61 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 -0.44 -1.51 -3.00 -0.72 7.02 -1.26 -4.91 117.44 112.62 2d8c n TRP 20 Ca 0.14 0.18 -0.22 0.00 -1.02 0.00 0.00 57.50 56.59 2d8c n TRP 20 Cb 0.15 -1.63 0.01 0.00 -2.42 0.00 0.00 31.31 27.42 2d8c n TRP 20 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2d8c s SER 21 N -1.86 5.74 0.33 -0.99 1.04 -1.26 -4.15 113.70 112.56 2d8c s SER 21 Ca 0.55 0.13 0.26 0.00 0.48 0.00 0.00 55.95 57.38 2d8c s SER 21 Cb -0.14 -1.33 1.09 0.00 0.10 0.00 0.00 66.02 65.74 2d8c s SER 21 CO 0.67 -0.74 1.78 1.55 0.98 0.00 0.00 173.24 177.48 2d8c h PRO 22 N 0.42 0.00 0.00 4.02 0.13 -1.90 -2.56 132.00 132.12 2d8c h PRO 22 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2d8c h PRO 22 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2d8c h PRO 22 CO 0.55 0.00 -1.60 1.63 -0.23 0.00 0.00 178.00 178.36 2d8c n LYS 23 N -2.45 0.60 -0.04 0.86 4.01 -1.26 -4.41 118.16 115.47 2d8c n LYS 23 Ca 0.02 -0.08 -0.06 0.00 -0.51 0.00 0.00 58.31 57.68 2d8c n LYS 23 Cb 0.24 -1.62 -0.05 0.00 -0.51 0.00 0.00 35.03 33.09 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 -0.03 -1.32 1.97 1.63 -1.77 -3.29 116.57 113.77 2d8c h LYS 24 Ca 0.00 0.00 0.46 0.00 -0.85 0.00 0.00 60.65 60.26 2d8c h LYS 24 Cb 0.97 0.01 -0.14 0.00 -0.60 0.00 0.00 32.23 32.47 2d8c h LYS 24 CO 0.00 0.36 0.84 0.28 -3.45 0.00 0.00 179.45 177.48 2d8c n VAL 25 N -4.74 -0.25 0.22 2.00 0.31 -1.08 0.26 118.33 115.05 2d8c n VAL 25 Ca -0.04 1.76 -0.14 0.00 -0.01 0.00 0.00 64.34 65.91 2d8c n VAL 25 Cb 0.19 -2.89 -0.08 0.00 -0.91 0.00 0.00 33.84 30.16 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 1.57 -0.57 -1.06 3.52 0.00 -1.77 -2.96 119.26 117.99 2d8c h ALA 26 Ca 0.85 -0.18 0.28 0.00 0.00 0.00 0.00 54.91 55.86 2d8c h ALA 26 Cb 2.72 0.22 -0.08 0.00 0.00 0.00 0.00 17.79 20.65 2d8c h ALA 26 CO -0.47 -0.69 0.70 -0.44 0.00 0.00 0.00 179.25 178.36 2d8c h ASP 27 N -0.85 0.32 0.42 0.00 5.19 -0.26 0.83 116.42 122.08 2d8c h ASP 27 Ca -0.06 0.06 -0.06 0.00 -0.62 0.00 0.00 57.03 56.35 2d8c h ASP 27 Cb 0.56 0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.07 2d8c h ASP 27 CO 0.10 0.06 -0.28 -0.25 -3.12 0.00 0.00 179.24 175.75 2d8c h TRP 28 N 0.29 0.00 -0.00 4.55 7.01 -1.26 -0.75 115.95 125.78 2d8c h TRP 28 Ca 0.58 0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.52 2d8c h TRP 28 Cb 1.67 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.74 2d8c h TRP 28 CO -0.00 0.28 -0.21 -0.07 -2.79 0.00 0.00 178.44 175.65 2d8c h LEU 29 N 0.00 0.19 -1.19 0.65 3.38 0.81 -3.28 115.31 115.87 2d8c h LEU 29 Ca -0.00 -0.77 -0.08 0.00 0.09 0.00 0.00 57.88 57.12 2d8c h LEU 29 Cb 0.57 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2d8c h LEU 29 CO 0.04 0.93 -0.33 -0.07 0.09 0.00 0.00 178.44 179.10 2d8c h LEU 30 N -0.53 0.14 -2.74 1.67 3.38 -1.34 0.81 115.31 116.70 2d8c h LEU 30 Ca -0.02 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2d8c h LEU 30 Cb 0.96 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 2d8c h LEU 30 CO 0.04 0.46 0.04 -0.08 0.09 0.00 0.00 178.44 179.00 2d8c h GLU 31 N 0.12 0.00 -0.07 1.13 4.57 -1.19 -0.21 114.58 118.93 2d8c h GLU 31 Ca 0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2d8c h GLU 31 Cb 0.64 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.23 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 -3.29 2.34 -2.25 1.04 3.02 -0.91 -4.99 115.26 110.24 2d8c n ASN 32 Ca -0.03 -2.32 -0.10 0.00 -0.03 0.00 0.00 54.58 52.11 2d8c n ASN 32 Cb 0.12 -0.17 0.05 0.00 -0.61 0.00 0.00 39.78 39.17 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 -0.56 -0.99 -2.51 5.41 0.00 -0.09 -4.98 120.51 116.79 2d8c n ALA 33 Ca 0.07 0.02 -0.23 0.00 0.00 0.00 0.00 53.44 53.30 2d8c n ALA 33 Cb 0.41 -1.83 0.01 0.00 0.00 0.00 0.00 19.45 18.03 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 -2.69 2.94 0.00 0.00 2.81 0.28 -4.83 117.12 115.63 2d8c n MET 34 Ca -0.12 -4.23 0.07 0.00 -1.81 0.00 0.00 57.70 51.62 2d8c n MET 34 Cb 0.58 -2.03 0.39 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 -0.40 0.26 0.10 0.03 -0.04 -1.26 -2.38 135.00 131.31 2d8c n PRO 35 Ca 0.33 0.12 -0.01 0.00 -0.04 0.00 0.00 63.50 63.90 2d8c n PRO 35 Cb 0.70 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.63 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 -3.23 114.58 119.04 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 0.12 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.22 2d8c h GLU 36 CO 0.00 0.63 -0.60 0.66 0.05 0.00 0.00 179.01 179.75 2d8c n TYR 37 N -3.23 0.05 -0.34 2.06 4.01 -1.00 -4.11 117.16 114.60 2d8c n TYR 37 Ca -0.00 0.01 0.01 0.00 -0.16 0.00 0.00 57.90 57.76 2d8c n TYR 37 Cb 0.81 -0.26 0.14 0.00 -0.31 0.00 0.00 39.34 39.73 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 1.10 -1.00 0.00 0.00 5.08 -1.76 1.86 114.58 119.86 2d8c h GLU 39 Ca 0.39 0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.78 2d8c h GLU 39 Cb 0.10 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2d8c h GLU 39 CO -0.15 -0.67 -0.17 -1.00 -1.00 0.00 0.00 179.01 176.03 2d8c h PRO 40 N -1.04 0.00 -0.48 2.33 0.13 -1.76 -2.67 132.00 128.50 2d8c h PRO 40 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2d8c h PRO 40 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2d8c h PRO 40 CO -0.03 0.17 0.00 1.28 -0.23 0.00 0.00 178.00 179.19 2d8c n LEU 41 N -3.39 4.06 -0.24 1.56 4.77 0.15 -4.55 117.00 119.36 2d8c n LEU 41 Ca -0.00 -2.45 -0.05 0.00 -0.03 0.00 0.00 56.01 53.48 2d8c n LEU 41 Cb 0.37 -0.48 0.06 0.00 -2.33 0.00 0.00 43.42 41.04 2d8c n LEU 41 CO 0.31 0.77 1.15 1.05 -1.33 0.00 0.00 177.39 179.34 2d8c h GLU 42 N 3.03 0.87 -0.43 3.23 4.11 0.33 -2.63 114.58 123.08 2d8c h GLU 42 Ca 0.00 -0.05 -0.17 0.00 0.07 0.00 0.00 59.36 59.20 2d8c h GLU 42 Cb 1.25 -0.20 -0.10 0.00 0.50 0.00 0.00 28.75 30.20 2d8c h GLU 42 CO 0.16 0.57 0.06 0.72 0.07 0.00 0.00 179.01 180.60 2d8c n HIS 43 N -4.63 1.40 -3.50 2.06 8.25 -1.26 -4.61 115.22 112.92 2d8c n HIS 43 Ca 0.06 -1.40 -0.36 0.00 -0.26 0.00 0.00 57.72 55.76 2d8c n HIS 43 Cb 0.03 -0.51 -0.06 0.00 1.12 0.00 0.00 29.99 30.57 2d8c n HIS 43 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2d8c s PHE 44 N -3.12 3.64 -0.03 4.41 0.40 -0.99 -4.94 117.98 117.36 2d8c s PHE 44 Ca 0.46 0.92 0.01 0.00 -0.60 0.00 0.00 56.93 57.72 2d8c s PHE 44 Cb 0.40 -2.25 -0.03 0.00 0.51 0.00 0.00 43.02 41.65 2d8c s PHE 44 CO 0.05 0.55 -0.02 0.95 0.70 0.00 0.00 175.22 177.45 2d8c s THR 45 N -1.30 4.07 0.17 0.64 -4.23 -1.26 -4.26 115.64 109.47 2d8c s THR 45 Ca 0.31 -0.52 0.06 0.00 -1.18 0.00 0.00 61.69 60.36 2d8c s THR 45 Cb -0.15 -2.76 0.20 0.00 1.34 0.00 0.00 72.50 71.13 2d8c s THR 45 CO 0.17 0.47 0.81 0.61 -0.54 0.00 0.00 174.62 176.13 2d8c n GLY 46 N 1.72 -0.55 0.06 3.99 0.00 -1.25 0.23 105.19 109.39 2d8c n GLY 46 Ca -0.16 0.46 -0.12 0.00 0.00 0.00 0.00 46.02 46.20 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 0.05 -0.26 1.61 5.75 -0.79 -1.66 115.11 119.81 2d8c h GLN 47 Ca 0.37 -0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 58.75 2d8c h GLN 47 Cb 0.88 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.41 2d8c h GLN 47 CO -0.44 0.21 -0.30 -0.44 -2.65 0.00 0.00 178.83 175.21 2d8c h ASP 48 N -0.13 0.53 0.55 -0.69 5.19 0.27 -2.59 116.42 119.55 2d8c h ASP 48 Ca 0.01 -0.20 -0.03 0.00 -0.62 0.00 0.00 57.03 56.20 2d8c h ASP 48 Cb 0.18 -0.15 0.01 0.00 0.18 0.00 0.00 39.33 39.55 2d8c h ASP 48 CO -0.00 0.80 -0.26 0.25 -3.12 0.00 0.00 179.24 176.91 2d8c h LEU 49 N 0.45 -0.62 -2.62 1.55 6.46 -0.29 -2.23 115.31 118.00 2d8c h LEU 49 Ca 0.06 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.82 2d8c h LEU 49 Cb 0.74 0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 40.83 2d8c h LEU 49 CO 0.06 -0.42 -0.00 0.16 -0.62 0.00 0.00 178.44 177.61 2d8c h ILE 50 N -0.77 0.03 -0.05 4.05 3.07 -1.30 -0.35 117.51 122.19 2d8c h ILE 50 Ca -0.08 -0.13 0.00 0.00 1.55 0.00 0.00 64.86 66.21 2d8c h ILE 50 Cb 0.58 1.12 0.00 0.00 -0.27 0.00 0.00 36.82 38.25 2d8c h ILE 50 CO 0.12 0.00 0.00 0.59 -1.05 0.00 0.00 178.15 177.82 2d8c n ASN 51 N -3.12 0.32 -4.73 2.16 3.02 -0.85 -4.83 115.26 107.23 2d8c n ASN 51 Ca -0.02 -1.76 -0.41 0.00 -0.03 0.00 0.00 54.58 52.36 2d8c n ASN 51 Cb 0.13 -0.03 -0.05 0.00 -0.61 0.00 0.00 39.78 39.22 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 -1.26 4.46 0.33 3.41 1.43 -0.14 -5.04 118.68 121.87 2d8c s LEU 52 Ca 0.15 1.60 0.04 0.00 -1.03 0.00 0.00 54.13 54.89 2d8c s LEU 52 Cb 0.07 -3.41 -0.04 0.00 0.03 0.00 0.00 46.19 42.85 2d8c s LEU 52 CO 0.12 -0.05 0.15 0.42 0.23 0.00 0.00 176.35 177.21 2d8c s THR 53 N 0.12 0.47 0.53 5.49 -4.23 -1.26 -4.99 115.64 111.76 2d8c s THR 53 Ca 0.43 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.13 2d8c s THR 53 Cb -0.22 -2.50 0.29 0.00 1.34 0.00 0.00 72.50 71.42 2d8c s THR 53 CO 0.26 0.00 2.13 -0.61 -0.54 0.00 0.00 174.62 175.86 2d8c h GLN 54 N 2.09 0.00 0.00 3.99 4.15 -1.97 0.85 115.11 124.22 2d8c h GLN 54 Ca -0.34 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.08 2d8c h GLN 54 Cb 1.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.94 2d8c h GLN 54 CO 0.54 0.00 0.00 1.05 -1.93 0.00 0.00 178.83 178.49 2d8c h GLU 55 N 0.00 0.00 0.00 1.69 4.11 -2.00 -2.28 114.58 116.10 2d8c h GLU 55 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.47 2d8c h GLU 55 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2d8c h GLU 55 CO -0.00 0.00 -0.45 -0.44 0.07 0.00 0.00 179.01 178.19 2d8c h ASP 56 N 0.00 0.00 0.03 3.06 3.32 -1.15 -3.36 116.42 118.33 2d8c h ASP 56 Ca 0.00 -0.12 -0.09 0.00 0.02 0.00 0.00 57.03 56.84 2d8c h ASP 56 Cb 0.46 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.00 2d8c h ASP 56 CO 0.00 0.06 -0.47 -0.26 -1.72 0.00 0.00 179.24 176.85 2d8c h PHE 57 N 0.00 0.11 -0.77 4.55 -1.00 -1.38 -3.31 116.94 115.15 2d8c h PHE 57 Ca 0.00 -0.08 0.22 0.00 2.81 0.00 0.00 57.97 60.92 2d8c h PHE 57 Cb 0.79 -0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.31 2d8c h PHE 57 CO 0.00 1.18 0.78 1.57 -1.61 0.00 0.00 178.31 180.23 2d8c h LYS 58 N -0.85 0.00 -5.78 1.51 2.10 -1.68 -3.31 116.57 108.56 2d8c h LYS 58 Ca -0.11 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 58.00 2d8c h LYS 58 Cb 1.21 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 32.40 2d8c h LYS 58 CO -0.01 0.00 -0.71 -1.59 -2.00 0.00 0.00 179.45 175.14 2d8c s LYS 59 N -4.61 1.59 0.92 0.07 -2.85 -1.25 -4.97 119.74 108.65 2d8c s LYS 59 Ca -0.04 -1.77 -0.12 0.00 -1.00 0.00 0.00 55.97 53.04 2d8c s LYS 59 Cb 0.16 -1.41 0.14 0.00 -2.06 0.00 0.00 37.83 34.67 2d8c s LYS 59 CO 0.57 0.16 1.09 -1.25 0.10 0.00 0.00 175.35 176.02 2d8c s PRO 60 N -3.63 1.04 0.27 1.78 0.04 -1.26 -3.55 135.00 129.69 2d8c s PRO 60 Ca 0.29 0.74 0.04 0.00 0.04 0.00 0.00 61.00 62.11 2d8c s PRO 60 Cb 0.00 -1.79 0.36 0.00 0.04 0.00 0.00 34.50 33.12 2d8c s PRO 60 CO 0.13 -2.37 1.65 -1.00 0.04 0.00 0.00 177.00 175.45 2d8c h PRO 61 N -1.64 0.30 -5.92 0.56 0.13 -1.95 -3.48 132.00 120.01 2d8c h PRO 61 Ca -0.51 -0.16 -0.50 0.00 -0.87 0.00 0.00 66.00 63.97 2d8c h PRO 61 Cb 1.30 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 2d8c h PRO 61 CO 0.55 0.70 1.42 -0.51 -0.23 0.00 0.00 178.00 179.93 2d8c s LEU 62 N -8.23 3.33 -0.17 1.56 1.43 -1.23 -4.91 118.68 110.46 2d8c s LEU 62 Ca -0.05 0.60 -0.09 0.00 -1.03 0.00 0.00 54.13 53.56 2d8c s LEU 62 Cb 0.13 -2.61 0.06 0.00 0.03 0.00 0.00 46.19 43.80 2d8c s LEU 62 CO 0.79 -2.44 0.41 -0.47 0.23 0.00 0.00 176.35 174.87 2d8c s TYR 63 N 9.64 -0.62 -0.74 0.29 5.04 -1.25 -3.85 117.35 125.86 2d8c s TYR 63 Ca 0.75 1.31 0.00 0.00 -2.44 0.00 0.00 57.07 56.70 2d8c s TYR 63 Cb -0.15 0.27 0.00 0.00 0.35 0.00 0.00 41.96 42.43 2d8c s TYR 63 CO 0.23 -0.36 0.00 0.54 -1.34 0.00 0.00 175.55 174.62 2d8c n ARG 64 N 4.40 -1.92 -0.36 4.97 1.74 -1.26 -4.77 116.66 119.46 2d8c n ARG 64 Ca -0.22 0.41 0.07 0.00 -0.77 0.00 0.00 57.85 57.35 2d8c n ARG 64 Cb 0.55 -4.79 0.24 0.00 -1.02 0.00 0.00 32.46 27.43 2d8c n ARG 64 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2d8c h VAL 65 N 0.00 0.91 -3.18 1.55 2.07 -1.92 -3.44 116.25 112.24 2d8c h VAL 65 Ca -0.17 -0.33 -0.53 0.00 0.82 0.00 0.00 66.70 66.49 2d8c h VAL 65 Cb 0.86 -0.14 -0.13 0.00 -1.52 0.00 0.00 31.29 30.35 2d8c h VAL 65 CO 0.23 0.18 -0.52 -0.55 0.02 0.00 0.00 177.57 176.93 2d8c s SER 66 N -5.66 2.46 -0.40 0.57 0.15 -1.26 -4.97 113.70 104.58 2d8c s SER 66 Ca -0.12 -1.68 0.07 0.00 0.70 0.00 0.00 55.95 54.92 2d8c s SER 66 Cb 0.22 0.50 0.71 0.00 -1.71 0.00 0.00 66.02 65.74 2d8c s SER 66 CO 0.81 -0.95 1.88 -1.54 1.20 0.00 0.00 173.24 174.63 2d8c n SER 67 N -1.31 4.27 -0.13 5.45 3.41 -1.26 -4.16 113.62 119.89 2d8c n SER 67 Ca -0.03 -3.44 0.09 0.00 -0.26 0.00 0.00 58.87 55.23 2d8c n SER 67 Cb 0.64 -0.80 0.13 0.00 -0.26 0.00 0.00 64.21 63.92 2d8c n SER 67 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2d8c n ASP 68 N -0.69 2.08 -3.74 4.04 8.00 -1.26 -4.98 116.55 120.00 2d8c n ASP 68 Ca 0.52 -2.99 -0.27 0.00 0.71 0.00 0.00 54.79 52.76 2d8c n ASP 68 Cb 1.56 -0.41 0.06 0.00 -0.02 0.00 0.00 41.12 42.31 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 -1.27 -5.58 -2.85 -2.24 3.02 -1.26 -1.47 115.26 103.61 2d8c n ASN 69 Ca 0.14 -0.65 -0.22 0.00 -0.03 0.00 0.00 54.58 53.83 2d8c n ASN 69 Cb 0.65 -4.51 0.03 0.00 -0.61 0.00 0.00 39.78 35.34 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 -1.86 -0.48 0.05 7.41 0.00 -1.26 -4.93 105.19 104.12 2d8c n GLY 70 Ca 0.02 0.08 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.21 0.00 -0.74 1.61 5.75 -1.66 -3.22 115.11 115.64 2d8c h GLN 71 Ca -0.51 0.00 0.09 0.00 -0.15 0.00 0.00 58.65 58.08 2d8c h GLN 71 Cb 1.36 0.00 -0.10 0.00 1.07 0.00 0.00 27.48 29.80 2d8c h GLN 71 CO 0.55 0.00 -0.38 -2.13 -2.65 0.00 0.00 178.83 174.23 2d8c n ARG 72 N -3.99 -0.26 0.27 1.69 0.63 -1.26 -0.29 116.66 113.44 2d8c n ARG 72 Ca -0.03 1.13 -0.13 0.00 -0.92 0.00 0.00 57.85 57.90 2d8c n ARG 72 Cb 0.13 -1.67 -0.06 0.00 0.45 0.00 0.00 32.46 31.30 2d8c n ARG 72 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2d8c h LEU 73 N 0.00 -0.82 -0.98 6.15 5.85 -1.97 -0.33 115.31 123.20 2d8c h LEU 73 Ca 0.18 0.05 0.30 0.00 0.84 0.00 0.00 57.88 59.24 2d8c h LEU 73 Cb 0.36 0.24 -0.18 0.00 0.37 0.00 0.00 40.66 41.46 2d8c h LEU 73 CO -0.72 -0.48 0.15 -0.07 -0.34 0.00 0.00 178.44 176.98 2d8c h LEU 74 N -0.77 -0.27 -0.27 2.25 3.38 -1.05 0.69 115.31 119.27 2d8c h LEU 74 Ca -0.07 0.27 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 2d8c h LEU 74 Cb 0.62 0.42 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2d8c h LEU 74 CO 0.06 -0.35 0.05 -0.78 0.09 0.00 0.00 178.44 177.50 2d8c h ASP 75 N 0.03 0.42 -0.09 -0.43 1.82 -0.36 0.34 116.42 118.14 2d8c h ASP 75 Ca 0.65 -0.25 -0.01 0.00 -0.39 0.00 0.00 57.03 57.03 2d8c h ASP 75 Cb 1.43 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 41.32 2d8c h ASP 75 CO -0.87 0.56 0.04 0.24 -1.61 0.00 0.00 179.24 177.61 2d8c h MET 76 N 0.25 0.17 0.17 0.28 2.86 0.20 -2.54 114.93 116.33 2d8c h MET 76 Ca 0.08 -0.01 -0.33 0.00 -2.06 0.00 0.00 59.70 57.38 2d8c h MET 76 Cb 0.32 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 31.95 2d8c h MET 76 CO 0.00 0.15 -1.61 0.82 1.06 0.00 0.00 176.91 177.33 2d8c h ILE 77 N 0.17 1.09 -0.92 -1.22 2.04 -0.43 -3.32 117.51 114.92 2d8c h ILE 77 Ca 0.04 -2.66 0.26 0.00 1.00 0.00 0.00 64.86 63.50 2d8c h ILE 77 Cb 0.05 2.82 -0.04 0.00 -0.74 0.00 0.00 36.82 38.90 2d8c h ILE 77 CO -0.00 0.84 0.66 -0.08 0.00 0.00 0.00 178.15 179.56 2d8c h GLU 78 N 0.10 0.04 0.00 2.37 4.22 0.11 0.84 114.58 122.26 2d8c h GLU 78 Ca -0.29 -0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.11 2d8c h GLU 78 Cb 2.08 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.32 2d8c h GLU 78 CO 0.19 0.03 -0.18 0.00 -2.18 0.00 0.00 179.01 176.87 2d8c h THR 79 N 0.04 0.32 -0.01 0.32 1.03 -1.62 -2.95 112.91 110.05 2d8c h THR 79 Ca 0.44 -1.36 -0.18 0.00 -0.01 0.00 0.00 66.41 65.31 2d8c h THR 79 Cb 1.70 2.08 -0.02 0.00 -1.07 0.00 0.00 68.15 70.84 2d8c h THR 79 CO -0.03 0.18 -0.80 -0.07 -0.01 0.00 0.00 175.52 174.79 2d8c h LEU 80 N 0.00 0.15 0.09 0.00 3.38 0.58 -3.32 115.31 116.19 2d8c h LEU 80 Ca -0.00 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2d8c h LEU 80 Cb 1.06 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2d8c h LEU 80 CO 0.02 0.89 -0.04 0.11 0.09 0.00 0.00 178.44 179.51 2d8c h LYS 81 N 0.07 -0.11 -1.13 1.13 6.56 -1.46 -3.30 116.57 118.33 2d8c h LYS 81 Ca -0.02 0.01 0.36 0.00 -1.06 0.00 0.00 60.65 59.93 2d8c h LYS 81 Cb 1.40 0.03 -0.08 0.00 -0.57 0.00 0.00 32.23 33.00 2d8c h LYS 81 CO 0.11 0.08 0.76 0.00 -2.06 0.00 0.00 179.45 178.35 2d8c n MET 82 N -4.83 -0.02 0.23 3.15 0.00 -1.12 0.11 117.12 114.64 2d8c n MET 82 Ca -0.03 0.84 -0.12 0.00 0.00 0.00 0.00 57.70 58.38 2d8c n MET 82 Cb 0.12 -1.75 -0.07 0.00 0.00 0.00 0.00 33.22 31.53 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 -0.60 -7.18 3.17 5.08 -1.66 -3.45 114.58 109.94 2d8c h GLU 83 Ca 0.64 0.04 -0.53 0.00 -1.00 0.00 0.00 59.36 58.51 2d8c h GLU 83 Cb 2.24 0.14 0.15 0.00 0.50 0.00 0.00 28.75 31.78 2d8c h GLU 83 CO -0.21 -0.31 0.39 -1.58 -1.00 0.00 0.00 179.01 176.30 2d8c s HIS 84 N -4.20 2.14 -0.84 4.33 2.46 0.31 -4.88 115.29 114.61 2d8c s HIS 84 Ca -0.12 1.60 -0.25 0.00 0.47 0.00 0.00 55.06 56.75 2d8c s HIS 84 Cb 0.01 -3.42 -0.01 0.00 -0.13 0.00 0.00 32.58 29.03 2d8c s HIS 84 CO 0.42 -2.45 1.74 -1.01 -2.47 0.00 0.00 174.74 170.97 2d8c s HIS 85 N -2.05 1.98 0.06 3.88 3.76 -1.26 -4.94 115.29 116.71 2d8c s HIS 85 Ca 0.73 0.28 0.05 0.00 -0.15 0.00 0.00 55.06 55.97 2d8c s HIS 85 Cb -0.28 -4.26 -0.03 0.00 1.11 0.00 0.00 32.58 29.13 2d8c s HIS 85 CO 0.45 -1.96 -0.13 -1.64 -0.85 0.00 0.00 174.74 170.60 2d8c s MET 86 N 6.45 0.81 -0.21 1.40 -1.94 -1.26 -5.13 119.30 119.41 2d8c s MET 86 Ca 0.60 -0.85 0.01 0.00 -1.71 0.00 0.00 55.69 53.74 2d8c s MET 86 Cb -0.07 -0.78 0.05 0.00 2.01 0.00 0.00 34.83 36.03 2d8c s MET 86 CO 0.04 0.18 -0.08 -2.00 -0.01 0.00 0.00 175.02 173.15 2d8c s GLU 87 N -1.49 1.83 0.25 2.03 2.12 -1.26 -5.04 118.70 117.13 2d8c s GLU 87 Ca -0.02 -0.86 -0.11 0.00 0.36 0.00 0.00 54.97 54.35 2d8c s GLU 87 Cb -0.09 -2.43 -0.01 0.00 0.26 0.00 0.00 34.13 31.86 2d8c s GLU 87 CO 0.02 -0.49 0.45 0.00 -0.54 0.00 0.00 175.26 174.70 2d8c s ALA 88 N 1.42 -0.02 -0.22 6.30 0.00 -1.26 -5.15 121.76 122.83 2d8c s ALA 88 Ca -0.03 -1.01 -0.04 0.00 0.00 0.00 0.00 51.96 50.88 2d8c s ALA 88 Cb -0.17 1.11 0.08 0.00 0.00 0.00 0.00 23.12 24.14 2d8c s ALA 88 CO -0.07 -0.82 0.15 -3.38 0.00 0.00 0.00 175.76 171.63 2d8c s HIS 89 N -3.94 0.06 -0.27 0.00 -3.43 -1.26 -5.12 115.29 101.33 2d8c s HIS 89 Ca 0.25 -0.32 -0.10 0.00 -0.80 0.00 0.00 55.06 54.09 2d8c s HIS 89 Cb 0.00 -0.65 -0.04 0.00 -1.43 0.00 0.00 32.58 30.46 2d8c s HIS 89 CO 0.10 -0.65 0.14 0.15 -2.00 0.00 0.00 174.74 172.49 2d8c s LYS 90 N 2.19 3.80 -0.74 -0.38 1.02 -1.26 -5.01 119.74 119.37 2d8c s LYS 90 Ca 0.06 -0.40 -0.31 0.00 0.02 0.00 0.00 55.97 55.33 2d8c s LYS 90 Cb -0.16 -3.53 -0.16 0.00 -0.52 0.00 0.00 37.83 33.46 2d8c s LYS 90 CO -0.19 -0.20 2.52 0.27 -0.92 0.00 0.00 175.35 176.83 2d8c n ASN 91 N 5.00 1.14 -3.63 2.83 0.23 -1.26 -4.79 115.26 114.78 2d8c n ASN 91 Ca -0.15 0.04 0.01 0.00 -0.53 0.00 0.00 54.58 53.96 2d8c n ASN 91 Cb 0.52 -1.15 -0.00 0.00 -2.08 0.00 0.00 39.78 37.06 2d8c n ASN 91 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2d8c s SER 92 N 9.53 -0.06 0.00 0.53 1.04 -1.26 -5.12 113.70 118.36 2d8c s SER 92 Ca 1.21 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 57.48 2d8c s SER 92 Cb -0.91 0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.39 2d8c s SER 92 CO 0.44 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.92 2d8c n GLY 93 N -0.50 -1.31 0.20 7.32 0.00 -1.26 -4.95 105.19 104.69 2d8c n GLY 93 Ca -0.08 0.48 -0.04 0.00 0.00 0.00 0.00 46.02 46.38 2d8c n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8c h PRO 94 N 0.00 0.34 -6.70 1.61 0.13 -2.03 -3.46 132.00 121.90 2d8c h PRO 94 Ca 0.00 -0.18 -0.46 0.00 -0.87 0.00 0.00 66.00 64.49 2d8c h PRO 94 Cb 0.00 0.01 0.23 0.00 0.13 0.00 0.00 31.00 31.37 2d8c h PRO 94 CO 0.00 0.73 -0.99 -1.13 -0.23 0.00 0.00 178.00 176.38 2d8c n SER 95 N -3.99 -2.32 0.14 1.44 3.41 -1.26 -4.90 113.62 106.14 2d8c n SER 95 Ca -0.02 -0.07 -0.13 0.00 -0.26 0.00 0.00 58.87 58.39 2d8c n SER 95 Cb 0.52 -0.99 -0.06 0.00 -0.26 0.00 0.00 64.21 63.41 2d8c n SER 95 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2d8c h SER 96 N -2.04 -0.59 0.00 4.04 0.02 -2.04 -3.52 113.55 109.43 2d8c h SER 96 Ca -0.53 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2d8c h SER 96 Cb 1.35 0.21 0.00 0.00 0.14 0.00 0.00 62.40 64.10 2d8c h SER 96 CO 0.38 -0.31 0.00 0.61 -1.14 0.00 0.00 176.83 176.37