#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 1.77 -4.35 1.61 7.64 -1.26 -4.90 113.62 114.13 2d8c n SER 2 Ca 0.00 0.22 -0.18 0.00 1.01 0.00 0.00 58.87 59.92 2d8c n SER 2 Cb 0.00 -1.24 -0.10 0.00 -1.01 0.00 0.00 64.21 61.85 2d8c n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2d8c s SER 3 N 8.44 1.55 1.42 6.43 1.04 -1.26 -5.07 113.70 126.25 2d8c s SER 3 Ca 1.13 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 56.17 2d8c s SER 3 Cb -0.84 0.10 0.00 0.00 0.10 0.00 0.00 66.02 65.38 2d8c s SER 3 CO 0.46 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.59 2d8c n GLY 4 N -0.54 3.26 2.94 7.32 0.00 -1.26 -4.54 105.19 112.37 2d8c n GLY 4 Ca -0.01 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 2d8c n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d8c s SER 5 N -4.00 0.59 0.28 1.61 0.15 -1.26 -5.16 113.70 105.91 2d8c s SER 5 Ca 0.00 0.36 0.12 0.00 0.70 0.00 0.00 55.95 57.12 2d8c s SER 5 Cb 0.00 0.68 -0.05 0.00 -1.71 0.00 0.00 66.02 64.94 2d8c s SER 5 CO 0.00 -0.27 -0.18 -0.94 1.20 0.00 0.00 173.24 173.05 2d8c s SER 6 N 2.41 3.68 -0.52 5.45 1.04 -1.26 -5.09 113.70 119.41 2d8c s SER 6 Ca 0.04 -0.99 0.07 0.00 0.48 0.00 0.00 55.95 55.55 2d8c s SER 6 Cb -0.13 -0.35 0.30 0.00 0.10 0.00 0.00 66.02 65.93 2d8c s SER 6 CO -0.10 0.04 0.76 0.61 0.98 0.00 0.00 173.24 175.53 2d8c n GLY 7 N -0.62 4.44 3.58 7.32 0.00 -1.26 -5.06 105.19 113.58 2d8c n GLY 7 Ca -0.05 -2.33 -0.40 0.00 0.00 0.00 0.00 46.02 43.24 2d8c n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2d8c s MET 8 N -2.53 3.78 -0.46 1.61 0.00 -1.26 -5.04 119.30 115.41 2d8c s MET 8 Ca 0.42 -0.13 -0.07 0.00 0.00 0.00 0.00 55.69 55.91 2d8c s MET 8 Cb 0.23 -3.74 0.12 0.00 0.00 0.00 0.00 34.83 31.44 2d8c s MET 8 CO -0.08 -0.45 0.31 -0.51 0.00 0.00 0.00 175.02 174.28 2d8c s LEU 9 N 2.16 5.57 -0.52 4.11 1.02 -1.26 -5.04 118.68 124.72 2d8c s LEU 9 Ca 0.15 -1.98 -0.07 0.00 0.02 0.00 0.00 54.13 52.26 2d8c s LEU 9 Cb -0.16 -1.96 0.13 0.00 0.02 0.00 0.00 46.19 44.23 2d8c s LEU 9 CO 0.11 -0.64 0.37 -0.55 0.02 0.00 0.00 176.35 175.65 2d8c s SER 10 N 2.38 5.58 -0.29 2.29 0.15 -1.26 -5.02 113.70 117.53 2d8c s SER 10 Ca 0.07 -2.20 -0.24 0.00 0.70 0.00 0.00 55.95 54.28 2d8c s SER 10 Cb -0.25 -1.95 0.14 0.00 -1.71 0.00 0.00 66.02 62.25 2d8c s SER 10 CO -0.02 -0.58 1.11 0.00 1.20 0.00 0.00 173.24 174.95 2d8c s ALA 11 N 0.91 -2.07 0.32 5.45 0.00 -1.26 -4.94 121.76 120.17 2d8c s ALA 11 Ca 0.10 1.88 0.01 0.00 0.00 0.00 0.00 51.96 53.94 2d8c s ALA 11 Cb -0.23 -1.55 -0.00 0.00 0.00 0.00 0.00 23.12 21.34 2d8c s ALA 11 CO -0.03 -0.22 0.02 0.54 0.00 0.00 0.00 175.76 176.07 2d8c n ARG 12 N 2.27 1.10 -1.19 0.00 1.74 -1.26 -5.10 116.66 114.23 2d8c n ARG 12 Ca -0.13 -2.40 -0.37 0.00 -0.77 0.00 0.00 57.85 54.18 2d8c n ARG 12 Cb 0.56 0.76 0.01 0.00 -1.02 0.00 0.00 32.46 32.77 2d8c n ARG 12 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 2d8c n THR 13 N -0.79 0.21 -1.65 0.55 5.66 -1.26 -4.91 114.28 112.09 2d8c n THR 13 Ca -0.12 -0.47 0.03 0.00 -3.05 0.00 0.00 64.05 60.44 2d8c n THR 13 Cb 0.42 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 69.24 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 1.35 0.42 0.16 1.09 0.00 -1.26 -4.75 117.12 114.13 2d8c n MET 14 Ca 0.09 -1.43 0.01 0.00 0.00 0.00 0.00 57.70 56.37 2d8c n MET 14 Cb 0.42 -0.79 0.31 0.00 0.00 0.00 0.00 33.22 33.16 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 0.00 0.05 0.00 0.03 6.56 -1.91 -3.34 116.57 117.97 2d8c h LYS 15 Ca 0.00 -0.02 -0.40 0.00 -1.06 0.00 0.00 60.65 59.17 2d8c h LYS 15 Cb 1.25 -0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.85 2d8c h LYS 15 CO 0.00 0.44 -2.32 -0.85 -2.06 0.00 0.00 179.45 174.66 2d8c n GLU 16 N -4.06 0.58 -1.76 3.15 0.28 -1.26 -0.32 120.64 117.25 2d8c n GLU 16 Ca -0.02 0.25 0.00 0.00 -0.16 0.00 0.00 57.16 57.24 2d8c n GLU 16 Cb 0.44 -1.48 0.00 0.00 1.43 0.00 0.00 31.44 31.83 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 -4.28 0.00 -0.03 3.84 3.14 -1.25 -4.57 118.33 115.17 2d8c n VAL 17 Ca -0.49 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 60.85 2d8c n VAL 17 Cb 0.83 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.59 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 -1.76 0.32 1.55 1.55 0.24 -1.26 -2.75 118.33 116.21 2d8c n VAL 18 Ca 0.00 -0.12 0.12 0.00 -2.04 0.00 0.00 64.34 62.30 2d8c n VAL 18 Cb 0.25 -0.72 0.52 0.00 -1.47 0.00 0.00 33.84 32.42 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 0.09 -0.51 6.34 4.01 -1.26 -0.97 117.16 122.17 2d8c n TYR 19 Ca -0.10 -0.05 -0.21 0.00 -0.16 0.00 0.00 57.90 57.38 2d8c n TYR 19 Cb 0.60 0.00 0.17 0.00 -0.31 0.00 0.00 39.34 39.80 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 -0.12 -2.38 -3.78 -0.72 7.02 -1.26 -4.92 117.44 111.28 2d8c n TRP 20 Ca 0.17 -0.08 -0.21 0.00 -1.02 0.00 0.00 57.50 56.36 2d8c n TRP 20 Cb 0.25 -1.40 -0.04 0.00 -2.42 0.00 0.00 31.31 27.70 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 -2.07 5.14 0.23 -0.99 0.01 -1.26 -4.32 113.70 110.43 2d8c s SER 21 Ca 0.42 -0.61 0.22 0.00 1.31 0.00 0.00 55.95 57.30 2d8c s SER 21 Cb -0.07 -0.82 0.94 0.00 0.21 0.00 0.00 66.02 66.27 2d8c s SER 21 CO 0.40 -0.44 1.68 -0.81 0.41 0.00 0.00 173.24 174.49 2d8c n PRO 22 N -1.39 0.17 -0.01 12.44 -0.04 -1.26 -2.26 135.00 142.64 2d8c n PRO 22 Ca -0.00 0.41 0.03 0.00 -0.04 0.00 0.00 63.50 63.90 2d8c n PRO 22 Cb 0.61 -1.83 -0.13 0.00 -0.04 0.00 0.00 33.50 32.11 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 -2.15 0.65 -0.06 0.54 4.76 -1.26 -4.44 118.16 116.20 2d8c n LYS 23 Ca 0.02 -0.02 -0.11 0.00 -2.87 0.00 0.00 58.31 55.33 2d8c n LYS 23 Cb 0.22 -1.62 -0.10 0.00 -1.84 0.00 0.00 35.03 31.69 2d8c n LYS 23 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2d8c h LYS 24 N 0.00 -0.00 -1.38 1.97 1.63 -1.84 -3.28 116.57 113.68 2d8c h LYS 24 Ca -0.17 0.00 0.46 0.00 -0.85 0.00 0.00 60.65 60.09 2d8c h LYS 24 Cb 1.44 0.00 -0.12 0.00 -0.60 0.00 0.00 32.23 32.95 2d8c h LYS 24 CO 0.02 0.74 0.90 0.28 -3.45 0.00 0.00 179.45 177.94 2d8c n VAL 25 N -4.66 -0.21 0.17 2.00 0.31 -0.96 -0.01 118.33 114.97 2d8c n VAL 25 Ca -0.08 1.66 -0.10 0.00 -0.01 0.00 0.00 64.34 65.82 2d8c n VAL 25 Cb 0.36 -2.73 -0.06 0.00 -0.91 0.00 0.00 33.84 30.50 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 1.43 -0.50 -1.23 3.52 0.00 -1.78 -3.14 119.26 117.56 2d8c h ALA 26 Ca 0.84 -0.16 0.40 0.00 0.00 0.00 0.00 54.91 55.98 2d8c h ALA 26 Cb 2.80 0.19 -0.13 0.00 0.00 0.00 0.00 17.79 20.65 2d8c h ALA 26 CO -0.38 -0.51 0.78 -0.44 0.00 0.00 0.00 179.25 178.69 2d8c h ASP 27 N -1.04 0.30 -0.66 0.00 5.19 -0.49 0.99 116.42 120.70 2d8c h ASP 27 Ca -0.05 0.14 -0.07 0.00 -0.62 0.00 0.00 57.03 56.43 2d8c h ASP 27 Cb 0.49 0.12 -0.03 0.00 0.18 0.00 0.00 39.33 40.10 2d8c h ASP 27 CO 0.08 -0.16 0.14 -0.25 -3.12 0.00 0.00 179.24 175.93 2d8c h TRP 28 N 0.14 1.14 0.73 4.55 7.01 -1.41 -2.41 115.95 125.70 2d8c h TRP 28 Ca 0.78 -0.15 -0.03 0.00 2.11 0.00 0.00 58.89 61.60 2d8c h TRP 28 Cb 2.32 -0.32 0.00 0.00 -2.10 0.00 0.00 29.16 29.06 2d8c h TRP 28 CO -0.01 0.95 -0.41 -0.07 -2.79 0.00 0.00 178.44 176.11 2d8c h LEU 29 N 1.00 -1.03 -1.88 0.65 3.38 0.11 -2.42 115.31 115.12 2d8c h LEU 29 Ca 0.21 0.05 0.23 0.00 0.09 0.00 0.00 57.88 58.45 2d8c h LEU 29 Cb 0.40 0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 2d8c h LEU 29 CO 0.01 -0.66 0.58 -0.07 0.09 0.00 0.00 178.44 178.40 2d8c h LEU 30 N -1.06 0.10 -2.20 1.67 -0.00 -1.52 0.48 115.31 112.78 2d8c h LEU 30 Ca -0.10 0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.78 2d8c h LEU 30 Cb 0.84 -0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 41.49 2d8c h LEU 30 CO 0.12 0.04 -0.03 -0.08 -0.00 0.00 0.00 178.44 178.49 2d8c h GLU 31 N 0.10 0.00 -0.19 1.13 4.57 -0.92 -1.38 114.58 117.88 2d8c h GLU 31 Ca 0.40 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.58 2d8c h GLU 31 Cb 1.45 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.04 2d8c h GLU 31 CO -0.05 0.03 0.00 0.27 -1.18 0.00 0.00 179.01 178.09 2d8c n ASN 32 N -4.05 3.23 -2.60 1.04 0.23 0.15 -4.96 115.26 108.29 2d8c n ASN 32 Ca -0.03 -2.82 -0.14 0.00 -0.53 0.00 0.00 54.58 51.06 2d8c n ASN 32 Cb 0.12 -0.43 0.06 0.00 -2.08 0.00 0.00 39.78 37.44 2d8c n ASN 32 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2d8c n ALA 33 N -0.60 -1.07 -2.33 -2.53 0.00 -0.52 -4.96 120.51 108.50 2d8c n ALA 33 Ca 0.17 0.15 -0.26 0.00 0.00 0.00 0.00 53.44 53.50 2d8c n ALA 33 Cb 0.72 -3.06 0.01 0.00 0.00 0.00 0.00 19.45 17.12 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 -3.37 3.47 0.00 0.00 2.81 -0.06 -4.79 117.12 115.19 2d8c n MET 34 Ca -0.07 -4.38 0.07 0.00 -1.81 0.00 0.00 57.70 51.50 2d8c n MET 34 Cb 0.57 -2.26 0.32 0.00 -0.71 0.00 0.00 33.22 31.14 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 -0.55 0.06 0.17 0.03 -0.04 -1.26 -2.21 135.00 131.19 2d8c n PRO 35 Ca 0.41 0.23 0.10 0.00 -0.04 0.00 0.00 63.50 64.19 2d8c n PRO 35 Cb 0.74 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.79 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 -1.95 -3.25 114.58 114.03 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 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2d8c h GLU 36 CO 0.00 0.08 -0.83 0.66 0.07 0.00 0.00 179.01 178.99 2d8c n TYR 37 N -2.98 0.03 -0.27 2.06 4.01 -0.94 -4.25 117.16 114.81 2d8c n TYR 37 Ca 0.02 0.01 -0.03 0.00 -0.16 0.00 0.00 57.90 57.73 2d8c n TYR 37 Cb 0.58 -0.15 0.08 0.00 -0.31 0.00 0.00 39.34 39.53 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 0.98 -0.86 0.00 0.00 5.08 -1.76 1.44 114.58 119.45 2d8c h GLU 39 Ca 0.29 0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.69 2d8c h GLU 39 Cb -0.05 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 2d8c h GLU 39 CO -0.09 -0.57 -0.10 -1.00 -1.00 0.00 0.00 179.01 176.25 2d8c h PRO 40 N -0.89 0.00 -0.54 2.33 0.13 -1.78 -2.59 132.00 128.65 2d8c h PRO 40 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2d8c h PRO 40 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2d8c h PRO 40 CO -0.17 0.10 0.00 1.28 -0.23 0.00 0.00 178.00 178.98 2d8c n LEU 41 N -3.26 4.09 -0.30 1.56 4.77 0.92 -4.52 117.00 120.25 2d8c n LEU 41 Ca 0.00 -2.34 -0.03 0.00 -0.03 0.00 0.00 56.01 53.61 2d8c n LEU 41 Cb 0.34 -0.48 0.09 0.00 -2.33 0.00 0.00 43.42 41.03 2d8c n LEU 41 CO 0.30 0.81 1.22 1.05 -1.33 0.00 0.00 177.39 179.43 2d8c h GLU 42 N 3.35 1.07 -0.47 3.23 4.11 0.24 -2.38 114.58 123.72 2d8c h GLU 42 Ca 0.00 -0.06 -0.16 0.00 0.07 0.00 0.00 59.36 59.21 2d8c h GLU 42 Cb 1.20 -0.24 -0.10 0.00 0.50 0.00 0.00 28.75 30.12 2d8c h GLU 42 CO 0.14 0.71 0.10 0.72 0.07 0.00 0.00 179.01 180.74 2d8c n HIS 43 N -4.52 1.55 -3.58 2.06 8.25 -1.26 -4.62 115.22 113.10 2d8c n HIS 43 Ca 0.09 -1.29 -0.36 0.00 -0.26 0.00 0.00 57.72 55.90 2d8c n HIS 43 Cb 0.03 -0.52 -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 -3.06 3.62 0.01 4.41 0.40 -0.90 -4.95 117.98 117.51 2d8c s PHE 44 Ca 0.48 0.82 0.02 0.00 -0.60 0.00 0.00 56.93 57.64 2d8c s PHE 44 Cb 0.40 -2.17 -0.04 0.00 0.51 0.00 0.00 43.02 41.72 2d8c s PHE 44 CO 0.07 0.56 -0.01 0.95 0.70 0.00 0.00 175.22 177.49 2d8c s THR 45 N -1.31 4.06 0.23 0.64 -4.23 -1.26 -4.17 115.64 109.60 2d8c s THR 45 Ca 0.30 -0.65 0.10 0.00 -1.18 0.00 0.00 61.69 60.25 2d8c s THR 45 Cb -0.14 -2.81 0.24 0.00 1.34 0.00 0.00 72.50 71.12 2d8c s THR 45 CO 0.16 0.36 1.02 0.61 -0.54 0.00 0.00 174.62 176.24 2d8c n GLY 46 N 1.37 -0.61 0.16 3.99 0.00 -1.26 0.24 105.19 109.08 2d8c n GLY 46 Ca -0.14 0.56 -0.11 0.00 0.00 0.00 0.00 46.02 46.33 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 0.47 -0.28 1.61 5.75 -0.86 -1.97 115.11 119.82 2d8c h GLN 47 Ca 0.50 -0.14 -0.13 0.00 -0.15 0.00 0.00 58.65 58.73 2d8c h GLN 47 Cb 1.26 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.75 2d8c h GLN 47 CO -0.53 0.62 -0.36 -0.44 -2.65 0.00 0.00 178.83 175.46 2d8c h ASP 48 N 0.26 0.65 -0.17 -0.69 3.32 0.28 -2.55 116.42 117.52 2d8c h ASP 48 Ca 0.08 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 2d8c h ASP 48 Cb 0.40 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2d8c h ASP 48 CO 0.01 0.95 0.10 0.25 -1.72 0.00 0.00 179.24 178.83 2d8c h LEU 49 N 0.52 0.22 -1.81 1.55 6.46 -0.38 -2.09 115.31 119.78 2d8c h LEU 49 Ca 0.05 -0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.72 2d8c h LEU 49 Cb 0.86 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.74 2d8c h LEU 49 CO 0.07 0.24 -0.03 0.16 -0.62 0.00 0.00 178.44 178.27 2d8c h ILE 50 N 0.18 0.09 -0.17 4.05 3.07 -1.33 -2.15 117.51 121.25 2d8c h ILE 50 Ca 0.06 -0.45 0.00 0.00 1.55 0.00 0.00 64.86 66.03 2d8c h ILE 50 Cb 0.07 1.40 0.00 0.00 -0.27 0.00 0.00 36.82 38.02 2d8c h ILE 50 CO -0.01 0.03 0.00 0.59 -1.05 0.00 0.00 178.15 177.71 2d8c n ASN 51 N -3.16 1.90 -4.80 2.16 3.02 -0.79 -4.87 115.26 108.74 2d8c n ASN 51 Ca -0.00 -2.17 -0.39 0.00 -0.03 0.00 0.00 54.58 51.99 2d8c n ASN 51 Cb 0.26 -0.41 -0.06 0.00 -0.61 0.00 0.00 39.78 38.95 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 -0.84 4.53 0.22 3.41 1.43 -0.81 -5.04 118.68 121.58 2d8c s LEU 52 Ca 0.15 1.34 0.01 0.00 -1.03 0.00 0.00 54.13 54.60 2d8c s LEU 52 Cb 0.10 -3.00 -0.05 0.00 0.03 0.00 0.00 46.19 43.27 2d8c s LEU 52 CO 0.06 0.23 0.07 0.42 0.23 0.00 0.00 176.35 177.36 2d8c s THR 53 N -0.98 0.53 0.56 5.49 -4.23 -1.26 -5.03 115.64 110.72 2d8c s THR 53 Ca 0.31 -1.99 0.25 0.00 -1.18 0.00 0.00 61.69 59.08 2d8c s THR 53 Cb -0.20 -2.43 0.32 0.00 1.34 0.00 0.00 72.50 71.53 2d8c s THR 53 CO 0.21 -0.17 2.22 -0.61 -0.54 0.00 0.00 174.62 175.72 2d8c h GLN 54 N 2.53 0.00 0.00 3.99 4.15 -1.95 0.11 115.11 123.93 2d8c h GLN 54 Ca -0.37 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.05 2d8c h GLN 54 Cb 1.23 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.92 2d8c h GLN 54 CO 0.61 0.00 0.00 0.39 -1.93 0.00 0.00 178.83 177.90 2d8c n GLU 55 N -4.08 0.09 0.03 1.69 1.02 -1.26 -2.46 120.64 115.67 2d8c n GLU 55 Ca -0.03 0.20 0.12 0.00 -0.02 0.00 0.00 57.16 57.43 2d8c n GLU 55 Cb 0.09 -1.63 0.22 0.00 -0.02 0.00 0.00 31.44 30.10 2d8c n GLU 55 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2d8c n ASP 56 N -1.79 0.58 0.03 1.62 9.92 0.37 -4.03 116.55 123.25 2d8c n ASP 56 Ca 0.05 -0.01 -0.22 0.00 -0.53 0.00 0.00 54.79 54.08 2d8c n ASP 56 Cb 0.28 0.18 -0.14 0.00 -0.64 0.00 0.00 41.12 40.80 2d8c n ASP 56 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 2d8c h PHE 57 N 0.00 0.53 0.00 1.24 -1.00 -1.51 -3.31 116.94 112.89 2d8c h PHE 57 Ca 0.00 -0.38 0.00 0.00 2.81 0.00 0.00 57.97 60.40 2d8c h PHE 57 Cb 0.63 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.17 2d8c h PHE 57 CO 0.00 1.57 0.25 1.57 -1.61 0.00 0.00 178.31 180.09 2d8c h LYS 58 N -0.20 0.00 -4.95 1.51 2.10 -1.70 -3.32 116.57 110.01 2d8c h LYS 58 Ca -0.30 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.03 2d8c h LYS 58 Cb 1.84 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 33.03 2d8c h LYS 58 CO 0.10 0.00 -0.68 -1.59 -2.00 0.00 0.00 179.45 175.28 2d8c s LYS 59 N -3.42 1.12 0.84 0.07 -2.85 -1.25 -5.01 119.74 109.24 2d8c s LYS 59 Ca -0.02 -1.52 -0.11 0.00 -1.00 0.00 0.00 55.97 53.32 2d8c s LYS 59 Cb 0.05 -0.47 0.09 0.00 -2.06 0.00 0.00 37.83 35.44 2d8c s LYS 59 CO 0.15 -0.04 1.09 -1.25 0.10 0.00 0.00 175.35 175.40 2d8c s PRO 60 N -3.83 1.75 0.12 1.78 0.04 -1.26 -3.58 135.00 130.02 2d8c s PRO 60 Ca 0.21 0.99 -0.13 0.00 0.04 0.00 0.00 61.00 62.12 2d8c s PRO 60 Cb 0.05 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.67 2d8c s PRO 60 CO 0.03 -1.95 1.45 -1.00 0.04 0.00 0.00 177.00 175.58 2d8c h PRO 61 N -1.34 0.84 -5.62 0.56 0.13 -1.96 -3.48 132.00 121.12 2d8c h PRO 61 Ca -0.46 -0.44 -0.47 0.00 -0.87 0.00 0.00 66.00 63.76 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 1.08 1.63 1.28 -0.23 0.00 0.00 178.00 182.29 2d8c n LEU 62 N -4.15 2.34 -3.75 1.56 4.77 -1.23 -4.89 117.00 111.64 2d8c n LEU 62 Ca -0.03 -0.48 -0.13 0.00 -0.03 0.00 0.00 56.01 55.34 2d8c n LEU 62 Cb 0.51 -1.58 -0.10 0.00 -2.33 0.00 0.00 43.42 39.92 2d8c n LEU 62 CO 0.47 -1.54 0.03 -0.47 -1.33 0.00 0.00 177.39 174.55 2d8c s TYR 63 N 12.10 -0.34 0.00 -1.77 5.04 -1.25 -3.91 117.35 127.23 2d8c s TYR 63 Ca 0.98 0.77 0.00 0.00 -2.44 0.00 0.00 57.07 56.39 2d8c s TYR 63 Cb -0.19 0.13 0.00 0.00 0.35 0.00 0.00 41.96 42.25 2d8c s TYR 63 CO 0.27 -0.25 0.00 0.54 -1.34 0.00 0.00 175.55 174.77 2d8c n ARG 64 N 2.42 -2.51 -0.08 4.97 1.74 -1.26 -4.73 116.66 117.21 2d8c n ARG 64 Ca -0.15 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.81 2d8c n ARG 64 Cb 0.57 -4.00 -0.05 0.00 -1.02 0.00 0.00 32.46 27.96 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 1.29 -1.71 1.55 2.07 -1.93 -3.46 116.25 114.07 2d8c h VAL 65 Ca 0.00 -1.15 -0.62 0.00 0.82 0.00 0.00 66.70 65.75 2d8c h VAL 65 Cb 0.76 1.53 -0.13 0.00 -1.52 0.00 0.00 31.29 31.94 2d8c h VAL 65 CO 0.00 0.36 -0.60 -0.55 0.02 0.00 0.00 177.57 176.79 2d8c s SER 66 N -6.15 3.92 0.00 0.57 0.15 -1.26 -5.00 113.70 105.93 2d8c s SER 66 Ca -0.13 -1.30 0.22 0.00 0.70 0.00 0.00 55.95 55.44 2d8c s SER 66 Cb 0.07 -0.40 -0.02 0.00 -1.71 0.00 0.00 66.02 63.96 2d8c s SER 66 CO 0.77 -0.41 1.07 -1.54 1.20 0.00 0.00 173.24 174.33 2d8c n SER 67 N -0.97 1.67 -1.97 5.45 3.41 -1.26 -4.18 113.62 115.78 2d8c n SER 67 Ca -0.05 -1.32 -0.09 0.00 -0.26 0.00 0.00 58.87 57.15 2d8c n SER 67 Cb 0.66 0.60 0.26 0.00 -0.26 0.00 0.00 64.21 65.46 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 -0.48 4.42 -3.05 4.04 8.00 -1.26 -4.88 116.55 123.34 2d8c n ASP 68 Ca 0.08 -3.20 -0.20 0.00 0.71 0.00 0.00 54.79 52.18 2d8c n ASP 68 Cb 0.42 -0.75 0.06 0.00 -0.02 0.00 0.00 41.12 40.83 2d8c n ASP 68 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2d8c n ASN 69 N -0.31 -5.76 -0.10 -2.24 2.85 -1.26 -1.68 115.26 106.77 2d8c n ASN 69 Ca 0.42 -0.41 -0.01 0.00 -0.11 0.00 0.00 54.58 54.46 2d8c n ASN 69 Cb 1.38 -4.43 -0.01 0.00 1.24 0.00 0.00 39.78 37.96 2d8c n ASN 69 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2d8c n GLY 70 N -1.72 0.11 0.06 8.20 0.00 -1.26 -4.82 105.19 105.77 2d8c n GLY 70 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.05 -0.34 1.61 5.75 -1.73 -2.83 115.11 117.52 2d8c h GLN 71 Ca -0.02 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.51 2d8c h GLN 71 Cb 0.91 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.43 2d8c h GLN 71 CO 0.04 -0.01 -0.21 -0.09 -2.65 0.00 0.00 178.83 175.90 2d8c h ARG 72 N -0.08 -0.02 -0.51 1.69 2.43 -1.88 0.73 114.38 116.75 2d8c h ARG 72 Ca -0.01 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.26 2d8c h ARG 72 Cb 0.07 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 29.52 2d8c h ARG 72 CO 0.01 -0.01 -0.29 1.25 -1.51 0.00 0.00 179.97 179.41 2d8c h LEU 73 N -0.02 -1.00 -0.35 3.80 5.85 -1.96 -0.56 115.31 121.07 2d8c h LEU 73 Ca 0.05 0.20 0.06 0.00 0.84 0.00 0.00 57.88 59.04 2d8c h LEU 73 Cb 0.16 0.50 -0.08 0.00 0.37 0.00 0.00 40.66 41.61 2d8c h LEU 73 CO -0.33 -0.29 -0.45 -0.07 -0.34 0.00 0.00 178.44 176.96 2d8c h LEU 74 N -0.17 -1.49 -2.06 2.25 3.38 -0.85 0.43 115.31 116.80 2d8c h LEU 74 Ca 0.22 0.21 0.08 0.00 0.09 0.00 0.00 57.88 58.49 2d8c h LEU 74 Cb 0.52 0.63 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2d8c h LEU 74 CO -0.61 -0.39 0.23 0.44 0.09 0.00 0.00 178.44 178.21 2d8c h ASP 75 N -0.38 0.00 0.95 -0.43 3.32 -0.01 0.40 116.42 120.28 2d8c h ASP 75 Ca 0.11 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.00 2d8c h ASP 75 Cb 0.60 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 2d8c h ASP 75 CO -0.54 0.00 -0.75 0.24 -1.72 0.00 0.00 179.24 176.46 2d8c h MET 76 N 0.00 0.00 0.08 3.56 2.86 0.12 -3.29 114.93 118.27 2d8c h MET 76 Ca 0.14 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.47 2d8c h MET 76 Cb 0.60 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 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 0.99 -1.05 -1.22 2.04 0.19 -3.34 117.51 115.11 2d8c h ILE 77 Ca -0.01 -2.71 0.28 0.00 1.00 0.00 0.00 64.86 63.42 2d8c h ILE 77 Cb 1.43 2.61 -0.08 0.00 -0.74 0.00 0.00 36.82 40.05 2d8c h ILE 77 CO 0.10 0.75 0.70 -0.08 0.00 0.00 0.00 178.15 179.62 2d8c h GLU 78 N 0.05 0.28 0.00 2.37 4.81 -0.40 0.95 114.58 122.64 2d8c h GLU 78 Ca -0.28 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 58.89 2d8c h GLU 78 Cb 2.00 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 31.31 2d8c h GLU 78 CO 0.12 0.19 -0.23 0.00 -0.73 0.00 0.00 179.01 178.35 2d8c h THR 79 N 0.29 0.45 0.00 0.32 1.03 -1.69 -2.72 112.91 110.60 2d8c h THR 79 Ca 0.57 -1.38 -0.12 0.00 -0.01 0.00 0.00 66.41 65.48 2d8c h THR 79 Cb 1.65 2.01 -0.02 0.00 -1.07 0.00 0.00 68.15 70.73 2d8c h THR 79 CO -0.21 0.23 -0.56 -0.07 -0.01 0.00 0.00 175.52 174.90 2d8c h LEU 80 N 0.00 0.00 0.00 0.00 3.38 0.79 -3.30 115.31 116.18 2d8c h LEU 80 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2d8c h LEU 80 Cb 1.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 2d8c h LEU 80 CO 0.03 0.56 -0.28 0.11 0.09 0.00 0.00 178.44 178.94 2d8c h LYS 81 N 0.00 0.00 -1.14 1.13 6.56 -1.38 -3.33 116.57 118.41 2d8c h LYS 81 Ca -0.01 0.00 0.36 0.00 -1.06 0.00 0.00 60.65 59.95 2d8c h LYS 81 Cb 1.12 0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 32.70 2d8c h LYS 81 CO 0.07 0.24 0.77 0.00 -2.06 0.00 0.00 179.45 178.48 2d8c n MET 82 N -4.67 -0.02 0.17 3.15 0.00 -1.03 0.34 117.12 115.06 2d8c n MET 82 Ca -0.07 0.84 -0.07 0.00 0.00 0.00 0.00 57.70 58.40 2d8c n MET 82 Cb 0.22 -1.75 -0.03 0.00 0.00 0.00 0.00 33.22 31.65 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 -0.45 -6.51 3.17 5.08 -1.69 -3.46 114.58 110.72 2d8c h GLU 83 Ca 0.64 0.03 -0.55 0.00 -1.00 0.00 0.00 59.36 58.48 2d8c h GLU 83 Cb 2.27 0.10 0.21 0.00 0.50 0.00 0.00 28.75 31.83 2d8c h GLU 83 CO -0.20 -0.30 -0.89 1.58 -1.00 0.00 0.00 179.01 178.20 2d8c n HIS 84 N -4.17 -2.32 -1.73 4.33 -0.00 0.15 -4.74 115.22 106.74 2d8c n HIS 84 Ca -0.06 0.21 -0.40 0.00 0.46 0.00 0.00 57.72 57.93 2d8c n HIS 84 Cb 0.18 -1.72 -0.03 0.00 -0.12 0.00 0.00 29.99 28.30 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 -2.89 2.99 -4.25 1.57 8.25 -1.26 -4.91 115.22 114.72 2d8c n HIS 85 Ca 0.05 -2.26 -0.27 0.00 -0.26 0.00 0.00 57.72 54.98 2d8c n HIS 85 Cb 0.53 -2.28 -0.09 0.00 1.12 0.00 0.00 29.99 29.27 2d8c n HIS 85 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2d8c s MET 86 N 4.61 2.21 -1.01 -0.41 -1.94 -1.26 -5.07 119.30 116.42 2d8c s MET 86 Ca 0.56 -1.17 -0.14 0.00 -1.71 0.00 0.00 55.69 53.23 2d8c s MET 86 Cb 0.10 -2.26 0.20 0.00 2.01 0.00 0.00 34.83 34.88 2d8c s MET 86 CO 0.05 0.45 1.10 -1.21 -0.01 0.00 0.00 175.02 175.41 2d8c s GLU 87 N -2.77 3.87 0.08 2.03 2.02 -1.26 -4.88 118.70 117.78 2d8c s GLU 87 Ca 0.25 -2.50 -0.31 0.00 0.02 0.00 0.00 54.97 52.44 2d8c s GLU 87 Cb -0.09 -4.74 -0.16 0.00 0.10 0.00 0.00 34.13 29.24 2d8c s GLU 87 CO 0.16 -1.52 1.63 0.00 0.02 0.00 0.00 175.26 175.56 2d8c h ALA 88 N 7.63 -0.74 -0.11 5.21 0.00 -1.97 -2.51 119.26 126.77 2d8c h ALA 88 Ca 0.19 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2d8c h ALA 88 Cb 0.96 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 2d8c h ALA 88 CO 1.02 -0.93 0.07 -2.39 0.00 0.00 0.00 179.25 177.02 2d8c n HIS 89 N -5.43 0.35 -0.00 0.00 1.44 -1.26 -4.56 115.22 105.76 2d8c n HIS 89 Ca -0.11 -1.26 -0.12 0.00 -2.01 0.00 0.00 57.72 54.23 2d8c n HIS 89 Cb 0.33 -0.69 -0.05 0.00 0.12 0.00 0.00 29.99 29.70 2d8c n HIS 89 CO 0.00 0.00 0.00 -0.22 -2.81 0.00 0.00 176.34 173.31 2d8c h LYS 90 N 1.28 -0.44 -6.41 -1.40 3.11 -1.84 -3.42 116.57 107.46 2d8c h LYS 90 Ca 0.08 0.03 -0.48 0.00 -2.81 0.00 0.00 60.65 57.47 2d8c h LYS 90 Cb 1.01 0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.34 2d8c h LYS 90 CO 0.19 -0.29 -0.26 0.54 -2.81 0.00 0.00 179.45 176.82 2d8c s ASN 91 N -4.90 6.32 -0.03 4.20 4.22 -1.26 -5.01 114.94 118.48 2d8c s ASN 91 Ca -0.15 0.37 -0.38 0.00 -2.14 0.00 0.00 52.86 50.55 2d8c s ASN 91 Cb 0.10 -2.00 -0.17 0.00 1.28 0.00 0.00 41.25 40.46 2d8c s ASN 91 CO 0.65 -0.21 1.42 -1.20 -2.04 0.00 0.00 177.10 175.72 2d8c n SER 92 N -1.52 1.64 0.00 3.54 7.64 -1.26 -4.72 113.62 118.94 2d8c n SER 92 Ca -0.06 1.11 0.00 0.00 1.01 0.00 0.00 58.87 60.94 2d8c n SER 92 Cb 0.56 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 2d8c n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d8c n GLY 93 N 2.87 -0.25 0.00 0.23 0.00 -1.26 -5.01 105.19 101.76 2d8c n GLY 93 Ca 0.21 0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.34 2d8c n GLY 93 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d8c n PRO 94 N 0.00 0.31 -1.69 1.61 -0.04 -1.26 -4.73 135.00 129.19 2d8c n PRO 94 Ca 0.00 0.09 -0.41 0.00 -0.04 0.00 0.00 63.50 63.15 2d8c n PRO 94 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 2d8c n PRO 94 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2d8c s SER 95 N -2.37 5.25 -0.51 3.54 0.01 -1.26 -4.92 113.70 113.43 2d8c s SER 95 Ca 0.17 1.47 -0.10 0.00 1.31 0.00 0.00 55.95 58.80 2d8c s SER 95 Cb 0.10 -2.51 0.13 0.00 0.21 0.00 0.00 66.02 63.95 2d8c s SER 95 CO 0.21 -2.19 0.39 -0.55 0.41 0.00 0.00 173.24 171.51 2d8c s SER 96 N 8.92 5.78 0.00 2.44 0.15 -1.26 -5.14 113.70 124.58 2d8c s SER 96 Ca 0.94 -2.03 0.00 0.00 0.70 0.00 0.00 55.95 55.56 2d8c s SER 96 Cb -0.26 -2.03 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 2d8c s SER 96 CO 0.31 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.69