#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 6.48 0.09 1.61 0.15 -1.26 -5.10 113.70 115.68 2d8c s SER 2 Ca 0.00 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.23 2d8c s SER 2 Cb 0.00 -2.12 -0.04 0.00 -1.71 0.00 0.00 66.02 62.15 2d8c s SER 2 CO 0.00 0.36 -0.03 -0.94 1.20 0.00 0.00 173.24 173.83 2d8c s SER 3 N -0.90 0.83 1.08 5.45 1.04 -1.26 -5.00 113.70 114.93 2d8c s SER 3 Ca 0.17 -1.04 -0.15 0.00 0.48 0.00 0.00 55.95 55.41 2d8c s SER 3 Cb -0.13 0.16 0.21 0.00 0.10 0.00 0.00 66.02 66.35 2d8c s SER 3 CO 0.06 -0.55 1.01 0.61 0.98 0.00 0.00 173.24 175.34 2d8c n GLY 4 N -0.02 -1.92 1.57 7.32 0.00 -1.26 -5.05 105.19 105.83 2d8c n GLY 4 Ca -0.11 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.29 2d8c n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2d8c n SER 5 N -4.01 0.05 -4.07 1.61 2.88 -1.26 -4.98 113.62 103.85 2d8c n SER 5 Ca 0.13 0.04 -0.35 0.00 -1.33 0.00 0.00 58.87 57.36 2d8c n SER 5 Cb 0.47 0.01 -0.09 0.00 -0.75 0.00 0.00 64.21 63.85 2d8c n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2d8c s SER 6 N -5.05 5.38 0.00 -3.46 0.15 -1.26 -4.97 113.70 104.48 2d8c s SER 6 Ca 0.00 -3.28 0.00 0.00 0.70 0.00 0.00 55.95 53.37 2d8c s SER 6 Cb 0.00 -1.83 0.00 0.00 -1.71 0.00 0.00 66.02 62.48 2d8c s SER 6 CO 0.00 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.79 2d8c n GLY 7 N 2.88 4.30 3.32 9.45 0.00 -1.26 -5.17 105.19 118.71 2d8c n GLY 7 Ca 0.14 -0.93 -0.17 0.00 0.00 0.00 0.00 46.02 45.06 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 -4.67 1.30 0.04 1.61 1.00 -1.26 -4.84 119.30 112.47 2d8c s MET 8 Ca 0.00 -1.64 0.06 0.00 0.00 0.00 0.00 55.69 54.11 2d8c s MET 8 Cb 0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 34.83 34.18 2d8c s MET 8 CO 0.00 -0.06 -0.17 -0.51 0.00 0.00 0.00 175.02 174.28 2d8c s LEU 9 N -3.29 2.17 1.13 -0.03 1.02 -1.26 -5.14 118.68 113.29 2d8c s LEU 9 Ca 0.26 -0.48 -0.18 0.00 0.02 0.00 0.00 54.13 53.75 2d8c s LEU 9 Cb 0.05 -0.74 0.14 0.00 0.02 0.00 0.00 46.19 45.66 2d8c s LEU 9 CO 0.07 0.08 0.13 -1.54 0.02 0.00 0.00 176.35 175.12 2d8c n SER 10 N 1.87 -2.48 -4.09 2.29 3.41 -1.26 -4.84 113.62 108.52 2d8c n SER 10 Ca -0.18 -0.20 -0.32 0.00 -0.26 0.00 0.00 58.87 57.91 2d8c n SER 10 Cb 0.54 -0.95 -0.16 0.00 -0.26 0.00 0.00 64.21 63.38 2d8c n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2d8c s ALA 11 N -2.22 2.36 0.03 7.33 0.00 -1.26 -4.96 121.76 123.04 2d8c s ALA 11 Ca 0.55 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 51.14 2d8c s ALA 11 Cb -0.12 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 21.70 2d8c s ALA 11 CO 0.62 -0.64 0.00 -2.13 0.00 0.00 0.00 175.76 173.61 2d8c n ARG 12 N 4.57 0.00 -3.64 0.00 0.00 -1.26 -5.08 116.66 111.26 2d8c n ARG 12 Ca -0.18 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.37 2d8c n ARG 12 Cb 0.47 -0.38 -0.04 0.00 0.00 0.00 0.00 32.46 32.51 2d8c n ARG 12 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 2d8c s THR 13 N -2.00 5.16 -2.41 5.15 -1.32 -1.26 -5.00 115.64 113.96 2d8c s THR 13 Ca 0.00 -0.11 0.19 0.00 -1.21 0.00 0.00 61.69 60.56 2d8c s THR 13 Cb 0.00 -3.68 0.16 0.00 -1.51 0.00 0.00 72.50 67.47 2d8c s THR 13 CO 0.00 -0.09 1.12 0.80 -2.21 0.00 0.00 174.62 174.24 2d8c n MET 14 N -0.32 1.70 0.11 7.08 1.56 -1.26 -4.38 117.12 121.61 2d8c n MET 14 Ca -0.03 -1.66 0.20 0.00 -0.27 0.00 0.00 57.70 55.93 2d8c n MET 14 Cb 0.53 -1.37 0.72 0.00 2.15 0.00 0.00 33.22 35.24 2d8c n MET 14 CO 0.00 0.00 0.00 0.87 -0.73 0.00 0.00 175.97 176.11 2d8c h LYS 15 N 3.80 0.00 0.00 2.12 6.56 -1.91 -3.05 116.57 124.09 2d8c h LYS 15 Ca 0.00 0.00 -0.16 0.00 -1.06 0.00 0.00 60.65 59.43 2d8c h LYS 15 Cb 0.81 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.45 2d8c h LYS 15 CO 0.00 0.00 -1.38 -0.85 -2.06 0.00 0.00 179.45 175.16 2d8c n GLU 16 N -3.50 0.25 -1.73 3.15 0.28 -1.26 -3.75 120.64 114.08 2d8c n GLU 16 Ca 0.07 0.11 0.00 0.00 -0.16 0.00 0.00 57.16 57.18 2d8c n GLU 16 Cb 0.67 -0.93 0.00 0.00 1.43 0.00 0.00 31.44 32.61 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 -3.64 0.00 -0.03 3.84 3.14 -1.15 -4.56 118.33 115.93 2d8c n VAL 17 Ca -0.20 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.15 2d8c n VAL 17 Cb 0.56 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.32 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 -1.72 0.29 1.78 1.55 0.24 -1.26 -3.36 118.33 115.85 2d8c n VAL 18 Ca 0.00 -0.11 0.06 0.00 -2.04 0.00 0.00 64.34 62.26 2d8c n VAL 18 Cb 0.25 -0.73 0.32 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 -2.68 0.07 -0.70 6.34 4.01 -1.26 0.27 117.16 123.21 2d8c n TYR 19 Ca -0.09 -0.04 -0.33 0.00 -0.16 0.00 0.00 57.90 57.28 2d8c n TYR 19 Cb 0.59 0.00 0.16 0.00 -0.31 0.00 0.00 39.34 39.78 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 -0.42 -1.40 -3.33 -0.72 7.02 -1.26 -4.87 117.44 112.46 2d8c n TRP 20 Ca 0.10 0.19 -0.18 0.00 -1.02 0.00 0.00 57.50 56.59 2d8c n TRP 20 Cb 0.11 -1.54 -0.00 0.00 -2.42 0.00 0.00 31.31 27.46 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 -1.75 5.88 0.28 -0.99 0.01 -1.26 -4.21 113.70 111.67 2d8c s SER 21 Ca 0.54 -0.25 0.24 0.00 1.31 0.00 0.00 55.95 57.79 2d8c s SER 21 Cb -0.09 -1.07 1.02 0.00 0.21 0.00 0.00 66.02 66.09 2d8c s SER 21 CO 0.66 -0.53 1.73 1.55 0.41 0.00 0.00 173.24 177.07 2d8c h PRO 22 N 0.82 0.00 0.00 12.44 0.13 -1.90 -2.53 132.00 140.96 2d8c h PRO 22 Ca -0.44 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.67 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 0.50 0.00 -1.70 1.63 -0.23 0.00 0.00 178.00 178.20 2d8c n LYS 23 N -2.30 0.64 -0.06 0.86 4.01 -1.26 -4.37 118.16 115.68 2d8c n LYS 23 Ca 0.02 -0.08 -0.08 0.00 -0.51 0.00 0.00 58.31 57.65 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 0.00 -1.21 1.97 1.63 -1.83 -3.27 116.57 113.86 2d8c h LYS 24 Ca -0.02 0.00 0.44 0.00 -0.85 0.00 0.00 60.65 60.22 2d8c h LYS 24 Cb 1.06 0.00 -0.15 0.00 -0.60 0.00 0.00 32.23 32.54 2d8c h LYS 24 CO 0.00 0.53 0.74 0.28 -3.45 0.00 0.00 179.45 177.55 2d8c h VAL 25 N -1.00 0.03 0.57 2.00 2.07 -1.70 0.16 116.25 118.39 2d8c h VAL 25 Ca -0.02 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 2d8c h VAL 25 Cb 0.57 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2d8c h VAL 25 CO -0.01 0.01 -0.27 0.00 0.02 0.00 0.00 177.57 177.31 2d8c h ALA 26 N 1.77 -0.76 -1.07 1.67 0.00 -1.76 -3.00 119.26 116.10 2d8c h ALA 26 Ca 0.86 -0.20 0.31 0.00 0.00 0.00 0.00 54.91 55.88 2d8c h ALA 26 Cb 2.53 0.29 -0.12 0.00 0.00 0.00 0.00 17.79 20.49 2d8c h ALA 26 CO -0.58 -0.77 0.66 -0.44 0.00 0.00 0.00 179.25 178.12 2d8c h ASP 27 N -1.08 0.47 0.10 0.00 5.19 -0.76 1.02 116.42 121.36 2d8c h ASP 27 Ca -0.08 0.13 -0.04 0.00 -0.62 0.00 0.00 57.03 56.42 2d8c h ASP 27 Cb 0.64 0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.21 2d8c h ASP 27 CO 0.13 -0.02 -0.15 -0.25 -3.12 0.00 0.00 179.24 175.82 2d8c h TRP 28 N 0.35 0.12 -0.03 4.55 7.01 -1.27 0.48 115.95 127.17 2d8c h TRP 28 Ca 0.68 -0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.62 2d8c h TRP 28 Cb 1.70 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 28.72 2d8c h TRP 28 CO -0.01 0.27 -0.19 -0.07 -2.79 0.00 0.00 178.44 175.66 2d8c h LEU 29 N 0.12 0.21 -1.18 0.65 3.38 0.12 -3.25 115.31 115.35 2d8c h LEU 29 Ca 0.02 -0.69 -0.08 0.00 0.09 0.00 0.00 57.88 57.22 2d8c h LEU 29 Cb 0.34 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2d8c h LEU 29 CO 0.02 0.87 -0.32 -0.07 0.09 0.00 0.00 178.44 179.03 2d8c h LEU 30 N -0.44 0.15 -2.68 1.67 3.38 -1.21 0.91 115.31 117.10 2d8c h LEU 30 Ca -0.02 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.91 2d8c h LEU 30 Cb 0.87 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 2d8c h LEU 30 CO 0.04 0.47 0.04 -0.08 0.09 0.00 0.00 178.44 179.00 2d8c h GLU 31 N 0.13 0.00 -0.02 1.13 4.81 -0.94 -0.57 114.58 119.13 2d8c h GLU 31 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2d8c h GLU 31 Cb 0.64 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.02 2d8c h GLU 31 CO 0.05 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.42 2d8c n ASN 32 N -3.39 2.35 -2.82 1.04 3.02 -0.91 -4.99 115.26 109.57 2d8c n ASN 32 Ca -0.02 -2.84 -0.12 0.00 -0.03 0.00 0.00 54.58 51.56 2d8c n ASN 32 Cb 0.12 -0.34 0.06 0.00 -0.61 0.00 0.00 39.78 39.01 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 -1.17 -1.62 -2.48 5.41 0.00 -0.22 -4.97 120.51 115.45 2d8c n ALA 33 Ca 0.13 -0.01 -0.19 0.00 0.00 0.00 0.00 53.44 53.37 2d8c n ALA 33 Cb 0.57 -2.52 0.02 0.00 0.00 0.00 0.00 19.45 17.51 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 -3.22 2.69 0.03 0.00 2.81 0.31 -4.83 117.12 114.91 2d8c n MET 34 Ca -0.18 -4.02 0.08 0.00 -1.81 0.00 0.00 57.70 51.77 2d8c n MET 34 Cb 0.62 -1.93 0.35 0.00 -0.71 0.00 0.00 33.22 31.55 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 -0.42 0.05 0.20 0.03 -0.04 -1.26 -2.40 135.00 131.16 2d8c n PRO 35 Ca 0.29 0.30 0.09 0.00 -0.04 0.00 0.00 63.50 64.14 2d8c n PRO 35 Cb 0.77 -1.59 0.32 0.00 -0.04 0.00 0.00 33.50 32.96 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 4.11 -1.93 -2.99 114.58 114.30 2d8c h GLU 36 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2d8c h GLU 36 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2d8c h GLU 36 CO 0.00 0.25 -0.84 0.66 0.07 0.00 0.00 179.01 179.15 2d8c n TYR 37 N -3.28 0.03 -0.28 2.06 4.01 -1.01 -4.26 117.16 114.43 2d8c n TYR 37 Ca 0.01 0.01 -0.02 0.00 -0.16 0.00 0.00 57.90 57.74 2d8c n TYR 37 Cb 0.51 -0.15 0.10 0.00 -0.31 0.00 0.00 39.34 39.49 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 0.95 -0.93 0.00 0.00 4.39 -1.74 1.36 114.58 118.61 2d8c h GLU 39 Ca 0.32 0.06 0.00 0.00 0.34 0.00 0.00 59.36 60.09 2d8c h GLU 39 Cb 0.05 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2d8c h GLU 39 CO -0.13 -0.62 0.00 -1.00 -1.16 0.00 0.00 179.01 176.10 2d8c h PRO 40 N -0.96 0.00 -0.34 2.33 0.13 -1.78 -2.58 132.00 128.79 2d8c h PRO 40 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2d8c h PRO 40 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2d8c h PRO 40 CO -0.10 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 178.95 2d8c n LEU 41 N -2.89 3.79 -0.20 1.56 4.77 0.98 -4.62 117.00 120.39 2d8c n LEU 41 Ca 0.01 -2.64 -0.04 0.00 -0.03 0.00 0.00 56.01 53.30 2d8c n LEU 41 Cb 0.28 -0.46 0.06 0.00 -2.33 0.00 0.00 43.42 40.97 2d8c n LEU 41 CO 0.25 0.70 1.08 1.05 -1.33 0.00 0.00 177.39 179.14 2d8c h GLU 42 N 2.23 0.63 -0.52 3.23 4.11 0.22 -2.52 114.58 121.97 2d8c h GLU 42 Ca 0.00 -0.04 -0.27 0.00 0.07 0.00 0.00 59.36 59.12 2d8c h GLU 42 Cb 1.26 -0.14 -0.16 0.00 0.50 0.00 0.00 28.75 30.20 2d8c h GLU 42 CO 0.17 0.42 0.09 -2.39 0.07 0.00 0.00 179.01 177.37 2d8c n HIS 43 N -4.79 1.60 -3.69 2.06 1.44 -1.26 -4.72 115.22 105.87 2d8c n HIS 43 Ca 0.06 -1.70 -0.35 0.00 -2.01 0.00 0.00 57.72 53.72 2d8c n HIS 43 Cb 0.11 -0.61 -0.05 0.00 0.12 0.00 0.00 29.99 29.55 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 -3.28 3.60 0.05 -1.40 0.40 -0.95 -4.97 117.98 111.44 2d8c s PHE 44 Ca 0.48 0.69 0.05 0.00 -0.60 0.00 0.00 56.93 57.55 2d8c s PHE 44 Cb 0.43 -2.07 -0.04 0.00 0.51 0.00 0.00 43.02 41.85 2d8c s PHE 44 CO 0.02 0.61 -0.08 0.95 0.70 0.00 0.00 175.22 177.41 2d8c s THR 45 N -1.27 3.49 0.25 0.64 -4.23 -1.26 -4.28 115.64 108.98 2d8c s THR 45 Ca 0.27 -1.01 0.17 0.00 -1.18 0.00 0.00 61.69 59.94 2d8c s THR 45 Cb -0.14 -2.57 0.27 0.00 1.34 0.00 0.00 72.50 71.40 2d8c s THR 45 CO 0.15 0.26 0.98 0.61 -0.54 0.00 0.00 174.62 176.08 2d8c n GLY 46 N 1.16 -0.50 0.09 3.99 0.00 -1.24 0.19 105.19 108.89 2d8c n GLY 46 Ca -0.14 0.49 -0.13 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.10 -0.35 1.61 5.75 -0.19 -2.28 115.11 119.56 2d8c h GLN 47 Ca 0.54 0.01 -0.10 0.00 -0.15 0.00 0.00 58.65 58.94 2d8c h GLN 47 Cb 1.59 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 30.14 2d8c h GLN 47 CO -0.38 0.26 -0.21 -0.44 -2.65 0.00 0.00 178.83 175.41 2d8c h ASP 48 N -0.47 0.67 0.68 -0.69 5.19 0.17 -2.64 116.42 119.34 2d8c h ASP 48 Ca -0.01 -0.23 -0.03 0.00 -0.62 0.00 0.00 57.03 56.14 2d8c h ASP 48 Cb 0.40 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 39.72 2d8c h ASP 48 CO 0.02 0.88 -0.42 0.25 -3.12 0.00 0.00 179.24 176.85 2d8c h LEU 49 N 0.59 -1.05 -2.42 1.55 6.46 -0.53 -1.81 115.31 118.10 2d8c h LEU 49 Ca 0.09 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.91 2d8c h LEU 49 Cb 0.68 0.30 0.00 0.00 -0.73 0.00 0.00 40.66 40.91 2d8c h LEU 49 CO 0.05 -0.65 0.00 0.16 -0.62 0.00 0.00 178.44 177.38 2d8c h ILE 50 N -1.04 0.00 -0.16 4.05 3.07 -1.42 -0.21 117.51 121.80 2d8c h ILE 50 Ca -0.09 -0.04 0.00 0.00 1.55 0.00 0.00 64.86 66.28 2d8c h ILE 50 Cb 0.83 0.90 0.00 0.00 -0.27 0.00 0.00 36.82 38.29 2d8c h ILE 50 CO 0.09 0.00 0.00 0.59 -1.05 0.00 0.00 178.15 177.78 2d8c n ASN 51 N -2.85 1.42 -4.79 2.16 3.02 -0.69 -4.87 115.26 108.67 2d8c n ASN 51 Ca -0.02 -2.09 -0.38 0.00 -0.03 0.00 0.00 54.58 52.06 2d8c n ASN 51 Cb 0.08 -0.29 -0.06 0.00 -0.61 0.00 0.00 39.78 38.91 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 -0.87 4.49 0.28 3.41 1.43 -0.09 -5.04 118.68 122.29 2d8c s LEU 52 Ca 0.12 1.52 0.02 0.00 -1.03 0.00 0.00 54.13 54.76 2d8c s LEU 52 Cb 0.08 -3.37 -0.05 0.00 0.03 0.00 0.00 46.19 42.88 2d8c s LEU 52 CO 0.06 0.15 0.09 0.42 0.23 0.00 0.00 176.35 177.31 2d8c s THR 53 N -1.29 0.67 0.43 5.49 -4.23 -1.26 -5.03 115.64 110.41 2d8c s THR 53 Ca 0.38 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.97 2d8c s THR 53 Cb -0.20 -2.66 0.27 0.00 1.34 0.00 0.00 72.50 71.25 2d8c s THR 53 CO 0.23 0.00 2.07 -0.61 -0.54 0.00 0.00 174.62 175.78 2d8c h GLN 54 N 2.31 0.46 0.00 3.99 4.15 -1.96 -0.99 115.11 123.07 2d8c h GLN 54 Ca -0.38 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 58.94 2d8c h GLN 54 Cb 1.25 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.82 2d8c h GLN 54 CO 0.62 0.30 -0.32 1.05 -1.93 0.00 0.00 178.83 178.55 2d8c h GLU 55 N 0.47 0.00 0.00 1.69 4.11 -1.99 -2.07 114.58 116.80 2d8c h GLU 55 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.56 2d8c h GLU 55 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2d8c h GLU 55 CO -0.03 0.32 0.00 -0.25 0.07 0.00 0.00 179.01 179.13 2d8c n ASP 56 N -3.98 0.47 0.07 3.06 8.00 -0.38 -2.31 116.55 121.48 2d8c n ASP 56 Ca -0.02 0.63 -0.16 0.00 0.71 0.00 0.00 54.79 55.95 2d8c n ASP 56 Cb 0.38 -0.73 -0.14 0.00 -0.02 0.00 0.00 41.12 40.62 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 0.43 0.00 1.24 -1.00 -1.40 -3.31 116.94 112.89 2d8c h PHE 57 Ca 0.00 -0.31 -0.04 0.00 2.81 0.00 0.00 57.97 60.43 2d8c h PHE 57 Cb 0.28 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.82 2d8c h PHE 57 CO 0.00 1.34 -0.18 0.87 -1.61 0.00 0.00 178.31 178.73 2d8c h LYS 58 N 0.06 0.00 -6.04 1.51 1.79 -1.52 -3.30 116.57 109.07 2d8c h LYS 58 Ca -0.22 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.65 2d8c h LYS 58 Cb 2.00 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 32.53 2d8c h LYS 58 CO 0.16 0.18 -0.67 -1.59 -1.08 0.00 0.00 179.45 176.46 2d8c s LYS 59 N -4.62 1.93 0.85 3.15 -2.85 -1.22 -4.93 119.74 112.04 2d8c s LYS 59 Ca -0.04 -1.80 -0.11 0.00 -1.00 0.00 0.00 55.97 53.02 2d8c s LYS 59 Cb 0.16 -1.84 0.10 0.00 -2.06 0.00 0.00 37.83 34.20 2d8c s LYS 59 CO 0.69 0.19 1.09 -1.25 0.10 0.00 0.00 175.35 176.18 2d8c s PRO 60 N -3.64 1.59 0.15 1.78 0.04 -1.26 -3.57 135.00 130.09 2d8c s PRO 60 Ca 0.33 0.94 -0.10 0.00 0.04 0.00 0.00 61.00 62.21 2d8c s PRO 60 Cb -0.01 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 32.68 2d8c s PRO 60 CO 0.18 -2.04 1.49 -1.00 0.04 0.00 0.00 177.00 175.66 2d8c h PRO 61 N -1.41 0.91 -5.72 0.56 0.13 -1.92 -3.48 132.00 121.06 2d8c h PRO 61 Ca -0.47 -0.47 -0.48 0.00 -0.87 0.00 0.00 66.00 63.71 2d8c h PRO 61 Cb 1.27 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 2d8c h PRO 61 CO 0.53 1.12 1.56 -0.51 -0.23 0.00 0.00 178.00 180.48 2d8c s LEU 62 N -8.85 3.38 -0.17 1.56 1.43 -1.23 -4.90 118.68 109.90 2d8c s LEU 62 Ca -0.11 0.96 -0.12 0.00 -1.03 0.00 0.00 54.13 53.83 2d8c s LEU 62 Cb 0.11 -2.57 0.05 0.00 0.03 0.00 0.00 46.19 43.82 2d8c s LEU 62 CO 0.88 -2.72 0.43 -0.47 0.23 0.00 0.00 176.35 174.69 2d8c s TYR 63 N 11.32 -0.56 -0.70 0.29 5.04 -1.24 -3.75 117.35 127.75 2d8c s TYR 63 Ca 0.91 1.26 -0.03 0.00 -2.44 0.00 0.00 57.07 56.77 2d8c s TYR 63 Cb -0.17 0.23 0.02 0.00 0.35 0.00 0.00 41.96 42.40 2d8c s TYR 63 CO 0.25 -0.30 0.11 0.54 -1.34 0.00 0.00 175.55 174.81 2d8c n ARG 64 N 3.66 -2.65 0.09 4.97 1.74 -1.26 -4.79 116.66 118.43 2d8c n ARG 64 Ca -0.19 0.31 -0.19 0.00 -0.77 0.00 0.00 57.85 57.00 2d8c n ARG 64 Cb 0.56 -4.88 -0.15 0.00 -1.02 0.00 0.00 32.46 26.97 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 -0.19 1.23 -2.04 1.55 2.07 -1.90 -3.47 116.25 113.50 2d8c h VAL 65 Ca -0.21 -2.80 -0.58 0.00 0.82 0.00 0.00 66.70 63.94 2d8c h VAL 65 Cb 1.15 2.87 -0.11 0.00 -1.52 0.00 0.00 31.29 33.68 2d8c h VAL 65 CO 0.26 0.84 -0.64 -0.55 0.02 0.00 0.00 177.57 177.50 2d8c s SER 66 N -7.21 4.23 -0.11 0.57 0.15 -1.26 -4.96 113.70 105.11 2d8c s SER 66 Ca -0.09 -0.88 0.05 0.00 0.70 0.00 0.00 55.95 55.73 2d8c s SER 66 Cb 0.06 -0.60 -0.24 0.00 -1.71 0.00 0.00 66.02 63.53 2d8c s SER 66 CO 0.88 -0.13 0.40 -0.24 1.20 0.00 0.00 173.24 175.35 2d8c n SER 67 N -0.90 1.35 -1.39 5.45 2.88 -1.26 -4.15 113.62 115.60 2d8c n SER 67 Ca -0.05 0.24 -0.03 0.00 -1.33 0.00 0.00 58.87 57.69 2d8c n SER 67 Cb 0.61 -0.28 0.01 0.00 -0.75 0.00 0.00 64.21 63.81 2d8c n SER 67 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2d8c n ASP 68 N -3.20 4.45 -3.70 -3.46 -0.08 -1.26 -4.75 116.55 104.55 2d8c n ASP 68 Ca -0.27 -2.39 -0.27 0.00 -1.51 0.00 0.00 54.79 50.34 2d8c n ASP 68 Cb 1.06 -0.85 0.04 0.00 2.34 0.00 0.00 41.12 43.71 2d8c n ASP 68 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2d8c n ASN 69 N 0.80 -5.28 -3.34 1.67 3.02 -1.26 -1.36 115.26 109.50 2d8c n ASN 69 Ca 0.07 -0.64 -0.23 0.00 -0.03 0.00 0.00 54.58 53.75 2d8c n ASN 69 Cb 0.57 -4.21 0.06 0.00 -0.61 0.00 0.00 39.78 35.59 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 -1.72 -0.53 0.10 7.41 0.00 -1.26 -4.92 105.19 104.27 2d8c n GLY 70 Ca 0.02 0.20 -0.18 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.15 0.16 -0.58 1.61 5.75 -1.62 -3.00 115.11 115.28 2d8c h GLN 71 Ca -0.55 -0.27 0.12 0.00 -0.15 0.00 0.00 58.65 57.80 2d8c h GLN 71 Cb 1.37 0.10 -0.10 0.00 1.07 0.00 0.00 27.48 29.92 2d8c h GLN 71 CO 0.56 1.13 -0.03 -0.09 -2.65 0.00 0.00 178.83 177.75 2d8c h ARG 72 N -0.65 0.09 0.77 1.69 2.43 -1.91 -0.60 114.38 116.20 2d8c h ARG 72 Ca -0.12 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.01 2d8c h ARG 72 Cb 1.39 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.92 2d8c h ARG 72 CO 0.06 0.06 -0.37 1.25 -1.51 0.00 0.00 179.97 179.46 2d8c h LEU 73 N 0.09 -0.88 -0.99 3.80 5.85 -1.98 -1.40 115.31 119.79 2d8c h LEU 73 Ca 0.30 0.03 0.36 0.00 0.84 0.00 0.00 57.88 59.41 2d8c h LEU 73 Cb 0.47 0.23 -0.17 0.00 0.37 0.00 0.00 40.66 41.56 2d8c h LEU 73 CO -0.52 -0.51 0.50 -0.07 -0.34 0.00 0.00 178.44 177.50 2d8c h LEU 74 N -1.28 0.32 -0.29 2.25 3.38 -1.33 1.00 115.31 119.37 2d8c h LEU 74 Ca -0.11 0.23 -0.19 0.00 0.09 0.00 0.00 57.88 57.90 2d8c h LEU 74 Cb 0.80 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2d8c h LEU 74 CO 0.17 -0.31 -0.60 -0.78 0.09 0.00 0.00 178.44 177.02 2d8c h ASP 75 N 0.13 0.94 0.34 -0.43 1.82 -1.01 0.47 116.42 118.68 2d8c h ASP 75 Ca 0.77 -0.53 -0.04 0.00 -0.39 0.00 0.00 57.03 56.84 2d8c h ASP 75 Cb 1.91 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 41.64 2d8c h ASP 75 CO -0.71 1.33 -0.21 0.24 -1.61 0.00 0.00 179.24 178.27 2d8c h MET 76 N 0.62 0.00 0.06 0.28 2.86 0.21 -3.12 114.93 115.84 2d8c h MET 76 Ca -0.00 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.39 2d8c h MET 76 Cb 1.21 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.85 2d8c h MET 76 CO 0.13 0.21 -1.31 0.82 1.06 0.00 0.00 176.91 177.82 2d8c h ILE 77 N 0.00 1.00 -1.38 -1.22 2.04 -0.69 -3.35 117.51 113.91 2d8c h ILE 77 Ca -0.00 -2.30 0.46 0.00 1.00 0.00 0.00 64.86 64.02 2d8c h ILE 77 Cb 0.44 2.56 -0.12 0.00 -0.74 0.00 0.00 36.82 38.95 2d8c h ILE 77 CO 0.03 0.57 0.91 1.21 0.00 0.00 0.00 178.15 180.87 2d8c n GLU 78 N -4.12 -0.03 -0.01 2.37 2.13 0.14 0.21 120.64 121.34 2d8c n GLU 78 Ca -0.27 1.15 -0.18 0.00 0.66 0.00 0.00 57.16 58.52 2d8c n GLU 78 Cb 0.80 -2.32 -0.09 0.00 0.27 0.00 0.00 31.44 30.10 2d8c n GLU 78 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2d8c h THR 79 N 0.00 1.32 -0.21 6.31 1.03 -1.70 -2.65 112.91 117.01 2d8c h THR 79 Ca 0.84 -2.00 0.06 0.00 -0.01 0.00 0.00 66.41 65.30 2d8c h THR 79 Cb 2.80 2.19 -0.01 0.00 -1.07 0.00 0.00 68.15 72.06 2d8c h THR 79 CO -0.37 0.62 0.40 -0.07 -0.01 0.00 0.00 175.52 176.09 2d8c h LEU 80 N 0.33 0.00 0.00 0.00 3.38 0.23 -2.51 115.31 116.73 2d8c h LEU 80 Ca -0.07 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 2d8c h LEU 80 Cb 1.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 2d8c h LEU 80 CO 0.15 0.00 -0.78 0.29 0.09 0.00 0.00 178.44 178.19 2d8c n LYS 81 N -3.29 0.49 -0.42 1.13 4.01 -1.07 -3.86 118.16 115.15 2d8c n LYS 81 Ca 0.03 0.49 0.33 0.00 -0.51 0.00 0.00 58.31 58.65 2d8c n LYS 81 Cb 0.51 -1.67 0.53 0.00 -0.51 0.00 0.00 35.03 33.89 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 -4.55 -0.01 -0.03 1.97 0.00 -0.96 0.23 117.12 113.76 2d8c n MET 82 Ca -0.14 0.83 -0.15 0.00 0.00 0.00 0.00 57.70 58.24 2d8c n MET 82 Cb 0.39 -1.76 -0.12 0.00 0.00 0.00 0.00 33.22 31.73 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 0.13 -7.25 3.17 4.39 -1.69 -3.46 114.58 109.87 2d8c h GLU 83 Ca 0.65 -0.14 -0.52 0.00 0.34 0.00 0.00 59.36 59.69 2d8c h GLU 83 Cb 2.33 0.04 0.16 0.00 -0.10 0.00 0.00 28.75 31.18 2d8c h GLU 83 CO -0.18 0.89 0.30 -1.58 -1.16 0.00 0.00 179.01 177.29 2d8c s HIS 84 N -3.07 2.02 -1.25 4.33 2.46 0.64 -4.86 115.29 115.55 2d8c s HIS 84 Ca -0.16 1.67 -0.18 0.00 0.47 0.00 0.00 55.06 56.86 2d8c s HIS 84 Cb 0.00 -3.30 0.09 0.00 -0.13 0.00 0.00 32.58 29.24 2d8c s HIS 84 CO 0.73 -2.46 1.65 -1.01 -2.47 0.00 0.00 174.74 171.19 2d8c s HIS 85 N -2.51 2.88 0.18 3.88 3.76 -1.26 -4.95 115.29 117.28 2d8c s HIS 85 Ca 0.68 -1.64 -0.18 0.00 -0.15 0.00 0.00 55.06 53.77 2d8c s HIS 85 Cb -0.23 -4.67 -0.08 0.00 1.11 0.00 0.00 32.58 28.71 2d8c s HIS 85 CO 0.53 -1.75 0.66 -1.64 -0.85 0.00 0.00 174.74 171.69 2d8c s MET 86 N 3.84 4.17 -0.61 1.40 -1.94 -1.26 -5.04 119.30 119.87 2d8c s MET 86 Ca 0.51 0.75 -0.17 0.00 -1.71 0.00 0.00 55.69 55.07 2d8c s MET 86 Cb 0.02 -2.94 0.13 0.00 2.01 0.00 0.00 34.83 34.05 2d8c s MET 86 CO 0.05 0.45 0.63 -1.83 -0.01 0.00 0.00 175.02 174.31 2d8c s GLU 87 N -1.86 3.12 -0.30 2.03 -1.05 -1.26 -4.98 118.70 114.40 2d8c s GLU 87 Ca 0.40 -1.68 -0.12 0.00 -0.15 0.00 0.00 54.97 53.42 2d8c s GLU 87 Cb -0.17 -4.33 0.13 0.00 -0.44 0.00 0.00 34.13 29.33 2d8c s GLU 87 CO 0.20 -1.42 0.74 0.00 0.95 0.00 0.00 175.26 175.73 2d8c s ALA 88 N 1.83 -2.18 -0.70 -0.84 0.00 -1.26 -5.11 121.76 113.50 2d8c s ALA 88 Ca 0.09 2.29 -0.03 0.00 0.00 0.00 0.00 51.96 54.31 2d8c s ALA 88 Cb -0.24 -1.80 0.18 0.00 0.00 0.00 0.00 23.12 21.25 2d8c s ALA 88 CO 0.02 -0.87 0.53 -1.01 0.00 0.00 0.00 175.76 174.44 2d8c s HIS 89 N 2.64 3.52 0.04 0.00 3.76 -1.26 -5.05 115.29 118.95 2d8c s HIS 89 Ca -0.06 -2.77 0.01 0.00 -0.15 0.00 0.00 55.06 52.09 2d8c s HIS 89 Cb -0.10 -3.22 -0.03 0.00 1.11 0.00 0.00 32.58 30.34 2d8c s HIS 89 CO -0.19 -0.82 -0.04 0.21 -0.85 0.00 0.00 174.74 173.05 2d8c s LYS 90 N -0.39 0.47 0.04 1.40 2.47 -1.26 -5.11 119.74 117.35 2d8c s LYS 90 Ca 0.20 -0.82 -0.37 0.00 -1.56 0.00 0.00 55.97 53.41 2d8c s LYS 90 Cb -0.17 0.00 -0.16 0.00 -1.46 0.00 0.00 37.83 36.04 2d8c s LYS 90 CO -0.06 -0.03 1.40 -1.71 0.16 0.00 0.00 175.35 175.11 2d8c n ASN 91 N 1.14 1.78 -3.60 1.43 2.85 -1.26 -4.96 115.26 112.64 2d8c n ASN 91 Ca -0.21 1.11 -0.24 0.00 -0.11 0.00 0.00 54.58 55.13 2d8c n ASN 91 Cb 0.57 -1.19 -0.16 0.00 1.24 0.00 0.00 39.78 40.23 2d8c n ASN 91 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2d8c s SER 92 N 0.93 2.03 0.65 1.20 1.04 -1.26 -5.15 113.70 113.14 2d8c s SER 92 Ca 0.86 -0.45 -0.01 0.00 0.48 0.00 0.00 55.95 56.83 2d8c s SER 92 Cb -0.97 -0.13 0.08 0.00 0.10 0.00 0.00 66.02 65.11 2d8c s SER 92 CO 0.49 -0.33 0.90 -0.83 0.98 0.00 0.00 173.24 174.45 2d8c s GLY 93 N 2.17 1.78 1.04 7.32 0.00 -1.26 -5.10 107.32 113.27 2d8c s GLY 93 Ca 0.03 -1.43 -0.17 0.00 0.00 0.00 0.00 44.72 43.15 2d8c s GLY 93 CO -0.09 -1.01 0.92 -1.55 0.00 0.00 0.00 173.10 171.38 2d8c n PRO 94 N -2.64 -2.82 -3.43 2.90 -0.04 -1.26 -5.10 135.00 122.61 2d8c n PRO 94 Ca 0.11 -1.47 -0.12 0.00 -0.04 0.00 0.00 63.50 61.98 2d8c n PRO 94 Cb 0.60 -1.38 -0.02 0.00 -0.04 0.00 0.00 33.50 32.66 2d8c n PRO 94 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2d8c s SER 95 N -3.99 -0.54 0.79 3.54 0.15 -1.26 -5.17 113.70 107.22 2d8c s SER 95 Ca 0.60 0.01 -0.11 0.00 0.70 0.00 0.00 55.95 57.15 2d8c s SER 95 Cb -0.06 0.57 0.07 0.00 -1.71 0.00 0.00 66.02 64.89 2d8c s SER 95 CO 0.46 -0.92 1.09 -0.94 1.20 0.00 0.00 173.24 174.13 2d8c s SER 96 N -2.69 4.45 0.00 5.45 1.04 -1.26 -5.37 113.70 115.32 2d8c s SER 96 Ca 0.01 1.54 0.00 0.00 0.48 0.00 0.00 55.95 57.98 2d8c s SER 96 Cb -0.01 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 63.82 2d8c s SER 96 CO -0.12 -2.03 0.00 0.61 0.98 0.00 0.00 173.24 172.68