#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 2.61 0.16 1.61 0.15 -1.26 -5.14 113.70 111.82 2d8c s SER 2 Ca 0.00 -0.46 -0.00 0.00 0.70 0.00 0.00 55.95 56.19 2d8c s SER 2 Cb 0.00 -0.26 -0.04 0.00 -1.71 0.00 0.00 66.02 64.01 2d8c s SER 2 CO 0.00 0.23 0.05 -0.44 1.20 0.00 0.00 173.24 174.28 2d8c s SER 3 N -0.83 0.60 0.00 5.45 0.01 -1.26 -5.16 113.70 112.52 2d8c s SER 3 Ca 0.09 -1.23 0.00 0.00 1.31 0.00 0.00 55.95 56.11 2d8c s SER 3 Cb -0.09 0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.39 2d8c s SER 3 CO 0.00 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 173.57 2d8c n GLY 4 N -0.18 3.85 3.57 3.44 0.00 -1.26 -5.02 105.19 109.59 2d8c n GLY 4 Ca -0.04 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 44.83 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 0.00 4.59 -0.82 1.61 0.15 -1.26 -4.86 113.70 113.10 2d8c s SER 5 Ca 0.00 -1.13 -0.12 0.00 0.70 0.00 0.00 55.95 55.40 2d8c s SER 5 Cb 0.00 -2.58 0.22 0.00 -1.71 0.00 0.00 66.02 61.95 2d8c s SER 5 CO 0.00 -3.46 0.75 -0.55 1.20 0.00 0.00 173.24 171.18 2d8c s SER 6 N 7.72 6.60 -0.09 5.45 0.15 -1.26 -4.85 113.70 127.41 2d8c s SER 6 Ca 0.74 -2.80 -0.06 0.00 0.70 0.00 0.00 55.95 54.53 2d8c s SER 6 Cb -0.04 -2.16 0.02 0.00 -1.71 0.00 0.00 66.02 62.13 2d8c s SER 6 CO 0.11 -0.52 0.13 0.61 1.20 0.00 0.00 173.24 174.76 2d8c n GLY 7 N 3.79 -3.83 3.74 9.45 0.00 -1.26 -5.03 105.19 112.04 2d8c n GLY 7 Ca 0.14 0.94 -0.24 0.00 0.00 0.00 0.00 46.02 46.86 2d8c n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2d8c s MET 8 N -0.45 2.28 -0.94 1.61 0.23 -1.26 -5.07 119.30 115.69 2d8c s MET 8 Ca -0.15 -1.72 -0.14 0.00 -1.03 0.00 0.00 55.69 52.66 2d8c s MET 8 Cb 0.01 -2.07 0.21 0.00 -1.53 0.00 0.00 34.83 31.45 2d8c s MET 8 CO 0.40 -0.03 0.97 -0.51 -2.03 0.00 0.00 175.02 173.82 2d8c s LEU 9 N -3.89 6.18 0.58 0.18 1.02 -1.26 -5.04 118.68 116.45 2d8c s LEU 9 Ca 0.40 -2.79 -0.21 0.00 0.02 0.00 0.00 54.13 51.56 2d8c s LEU 9 Cb 0.01 -2.26 -0.04 0.00 0.02 0.00 0.00 46.19 43.91 2d8c s LEU 9 CO 0.23 -0.62 1.29 -1.54 0.02 0.00 0.00 176.35 175.72 2d8c n SER 10 N 4.36 2.29 -4.36 2.29 3.41 -1.26 -4.94 113.62 115.40 2d8c n SER 10 Ca 0.20 0.92 -0.46 0.00 -0.26 0.00 0.00 58.87 59.28 2d8c n SER 10 Cb 0.45 -1.55 -0.01 0.00 -0.26 0.00 0.00 64.21 62.84 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 -1.33 4.15 0.45 7.33 0.00 -1.26 -4.89 121.76 126.21 2d8c s ALA 11 Ca 0.75 -3.39 0.35 0.00 0.00 0.00 0.00 51.96 49.67 2d8c s ALA 11 Cb -0.41 -3.66 1.50 0.00 0.00 0.00 0.00 23.12 20.55 2d8c s ALA 11 CO 0.47 -2.40 1.52 0.54 0.00 0.00 0.00 175.76 175.89 2d8c n ARG 12 N 4.13 -0.03 -4.16 0.00 5.12 -1.26 -4.38 116.66 116.08 2d8c n ARG 12 Ca 0.20 1.19 -0.24 0.00 -1.93 0.00 0.00 57.85 57.07 2d8c n ARG 12 Cb 0.45 -2.41 -0.07 0.00 -1.16 0.00 0.00 32.46 29.26 2d8c n ARG 12 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 2d8c s THR 13 N -5.12 2.65 -0.00 0.55 -1.32 -1.26 -5.04 115.64 106.10 2d8c s THR 13 Ca -0.07 -1.76 0.00 0.00 -1.21 0.00 0.00 61.69 58.65 2d8c s THR 13 Cb 0.29 -2.94 0.00 0.00 -1.51 0.00 0.00 72.50 68.34 2d8c s THR 13 CO 0.81 -0.12 0.65 0.23 -2.21 0.00 0.00 174.62 173.98 2d8c n MET 14 N -1.14 0.84 -0.20 7.08 0.00 -1.26 -4.77 117.12 117.68 2d8c n MET 14 Ca -0.02 -0.79 0.12 0.00 0.00 0.00 0.00 57.70 57.00 2d8c n MET 14 Cb 0.63 -0.64 0.42 0.00 0.00 0.00 0.00 33.22 33.63 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 0.58 0.00 0.03 1.57 -1.93 -3.16 116.57 113.66 2d8c h LYS 15 Ca 0.00 -0.03 -0.22 0.00 -1.87 0.00 0.00 60.65 58.52 2d8c h LYS 15 Cb 0.86 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.01 2d8c h LYS 15 CO 0.00 0.38 -1.46 -0.85 -0.57 0.00 0.00 179.45 176.96 2d8c n GLU 16 N -4.51 0.55 -1.87 3.15 0.28 -1.26 -2.95 120.64 114.02 2d8c n GLU 16 Ca 0.14 0.43 0.00 0.00 -0.16 0.00 0.00 57.16 57.57 2d8c n GLU 16 Cb 0.42 -1.62 0.00 0.00 1.43 0.00 0.00 31.44 31.67 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 -4.42 0.00 -0.02 3.84 3.14 -1.19 -4.56 118.33 115.12 2d8c n VAL 17 Ca -0.31 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.04 2d8c n VAL 17 Cb 0.64 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.40 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 -1.84 0.19 1.69 1.55 0.24 -1.26 -2.86 118.33 116.04 2d8c n VAL 18 Ca 0.00 -0.07 0.13 0.00 -2.04 0.00 0.00 64.34 62.35 2d8c n VAL 18 Cb 0.31 -0.62 0.61 0.00 -1.47 0.00 0.00 33.84 32.67 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 -2.60 0.05 -0.66 6.34 4.01 -1.26 -1.41 117.16 121.62 2d8c n TYR 19 Ca -0.06 -0.02 -0.28 0.00 -0.16 0.00 0.00 57.90 57.37 2d8c n TYR 19 Cb 0.56 0.00 0.15 0.00 -0.31 0.00 0.00 39.34 39.74 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 -0.34 -1.71 -3.48 -0.72 7.02 -1.26 -4.92 117.44 112.03 2d8c n TRP 20 Ca 0.18 0.15 -0.19 0.00 -1.02 0.00 0.00 57.50 56.62 2d8c n TRP 20 Cb 0.21 -1.48 -0.01 0.00 -2.42 0.00 0.00 31.31 27.61 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 -1.78 5.69 0.31 -0.99 1.04 -1.26 -4.32 113.70 112.38 2d8c s SER 21 Ca 0.47 -0.34 0.25 0.00 0.48 0.00 0.00 55.95 56.81 2d8c s SER 21 Cb -0.07 -1.02 1.06 0.00 0.10 0.00 0.00 66.02 66.09 2d8c s SER 21 CO 0.55 -0.48 1.76 1.55 0.98 0.00 0.00 173.24 177.60 2d8c h PRO 22 N 0.95 0.00 0.00 4.02 0.13 -1.90 -2.51 132.00 132.69 2d8c h PRO 22 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 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 0.53 0.00 -1.59 1.63 -0.23 0.00 0.00 178.00 178.34 2d8c n LYS 23 N -2.39 0.58 -0.07 0.86 4.01 -1.26 -4.41 118.16 115.48 2d8c n LYS 23 Ca 0.02 -0.08 -0.10 0.00 -0.51 0.00 0.00 58.31 57.63 2d8c n LYS 23 Cb 0.24 -1.61 -0.08 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 -1.10 1.97 1.63 -1.82 -3.29 116.57 113.96 2d8c h LYS 24 Ca 0.00 0.00 0.42 0.00 -0.85 0.00 0.00 60.65 60.22 2d8c h LYS 24 Cb 0.95 0.00 -0.16 0.00 -0.60 0.00 0.00 32.23 32.43 2d8c h LYS 24 CO 0.00 0.63 0.64 0.28 -3.45 0.00 0.00 179.45 177.55 2d8c n VAL 25 N -4.63 -0.34 0.26 2.00 0.31 -1.00 -0.10 118.33 114.83 2d8c n VAL 25 Ca -0.10 1.86 -0.14 0.00 -0.01 0.00 0.00 64.34 65.95 2d8c n VAL 25 Cb 0.36 -3.03 -0.07 0.00 -0.91 0.00 0.00 33.84 30.19 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 1.76 -0.70 -1.23 3.52 0.00 -1.77 -3.05 119.26 117.79 2d8c h ALA 26 Ca 0.82 -0.19 0.37 0.00 0.00 0.00 0.00 54.91 55.91 2d8c h ALA 26 Cb 2.37 0.27 -0.11 0.00 0.00 0.00 0.00 17.79 20.32 2d8c h ALA 26 CO -0.62 -0.72 0.80 -0.44 0.00 0.00 0.00 179.25 178.26 2d8c h ASP 27 N -1.04 0.30 -0.15 0.00 5.19 -0.58 1.16 116.42 121.30 2d8c h ASP 27 Ca -0.07 0.11 -0.07 0.00 -0.62 0.00 0.00 57.03 56.37 2d8c h ASP 27 Cb 0.61 0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.18 2d8c h ASP 27 CO 0.12 -0.07 -0.13 -0.25 -3.12 0.00 0.00 179.24 175.79 2d8c h TRP 28 N 0.19 0.55 0.48 4.55 7.01 -1.29 -1.85 115.95 125.59 2d8c h TRP 28 Ca 0.73 -0.09 -0.02 0.00 2.11 0.00 0.00 58.89 61.62 2d8c h TRP 28 Cb 2.20 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 29.12 2d8c h TRP 28 CO -0.00 0.62 -0.23 -0.07 -2.79 0.00 0.00 178.44 175.97 2d8c h LEU 29 N 0.47 -0.54 -1.72 0.65 3.38 0.15 -3.12 115.31 114.57 2d8c h LEU 29 Ca 0.09 0.02 0.19 0.00 0.09 0.00 0.00 57.88 58.27 2d8c h LEU 29 Cb 0.50 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.35 2d8c h LEU 29 CO 0.03 -0.29 0.54 -0.07 0.09 0.00 0.00 178.44 178.74 2d8c h LEU 30 N -0.83 0.24 -2.16 1.67 -0.00 -1.53 0.27 115.31 112.97 2d8c h LEU 30 Ca -0.07 0.02 0.06 0.00 -0.00 0.00 0.00 57.88 57.90 2d8c h LEU 30 Cb 0.49 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.12 2d8c h LEU 30 CO 0.11 0.11 0.28 -0.08 -0.00 0.00 0.00 178.44 178.85 2d8c h GLU 31 N 0.25 0.00 -0.08 1.13 4.57 -1.27 0.13 114.58 119.31 2d8c h GLU 31 Ca 0.39 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.57 2d8c h GLU 31 Cb 1.17 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 2d8c h GLU 31 CO -0.09 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 177.83 2d8c n ASN 32 N -3.64 2.50 -2.30 1.04 3.02 0.82 -4.98 115.26 111.73 2d8c n ASN 32 Ca 0.03 -2.55 -0.10 0.00 -0.03 0.00 0.00 54.58 51.93 2d8c n ASN 32 Cb 0.40 -0.26 0.05 0.00 -0.61 0.00 0.00 39.78 39.36 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 -0.73 -1.01 -2.46 5.41 0.00 0.47 -4.98 120.51 117.21 2d8c n ALA 33 Ca 0.10 0.03 -0.22 0.00 0.00 0.00 0.00 53.44 53.35 2d8c n ALA 33 Cb 0.50 -1.96 0.01 0.00 0.00 0.00 0.00 19.45 18.01 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 -2.77 2.97 0.00 0.00 2.81 -0.43 -4.82 117.12 114.87 2d8c n MET 34 Ca -0.12 -4.20 0.07 0.00 -1.81 0.00 0.00 57.70 51.64 2d8c n MET 34 Cb 0.58 -2.05 0.34 0.00 -0.71 0.00 0.00 33.22 31.38 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 -0.44 0.12 0.17 0.03 -0.04 -1.26 -2.35 135.00 131.23 2d8c n PRO 35 Ca 0.33 0.20 0.06 0.00 -0.04 0.00 0.00 63.50 64.05 2d8c n PRO 35 Cb 0.74 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.82 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 -3.17 114.58 119.10 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 0.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.29 2d8c h GLU 36 CO 0.00 0.33 -0.85 0.66 0.05 0.00 0.00 179.01 179.20 2d8c n TYR 37 N -3.21 0.04 -0.28 2.06 4.01 -0.99 -4.26 117.16 114.54 2d8c n TYR 37 Ca 0.02 0.01 -0.02 0.00 -0.16 0.00 0.00 57.90 57.75 2d8c n TYR 37 Cb 0.64 -0.16 0.10 0.00 -0.31 0.00 0.00 39.34 39.60 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 0.92 -0.96 0.00 0.00 5.08 -1.74 1.68 114.58 119.56 2d8c h GLU 39 Ca 0.31 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 2d8c h GLU 39 Cb 0.05 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2d8c h GLU 39 CO -0.13 -0.64 0.00 -1.00 -1.00 0.00 0.00 179.01 176.24 2d8c h PRO 40 N -1.00 0.00 -0.43 2.33 0.13 -1.77 -2.54 132.00 128.73 2d8c h PRO 40 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2d8c h PRO 40 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 2d8c h PRO 40 CO -0.09 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 178.96 2d8c n LEU 41 N -2.89 3.42 -0.37 1.56 4.77 0.11 -4.57 117.00 119.03 2d8c n LEU 41 Ca 0.01 -2.19 -0.01 0.00 -0.03 0.00 0.00 56.01 53.79 2d8c n LEU 41 Cb 0.28 -0.35 0.13 0.00 -2.33 0.00 0.00 43.42 41.14 2d8c n LEU 41 CO 0.25 0.77 1.28 1.05 -1.33 0.00 0.00 177.39 179.41 2d8c h GLU 42 N 2.55 1.25 -0.45 3.23 4.11 0.29 -2.26 114.58 123.31 2d8c h GLU 42 Ca 0.00 -0.08 -0.18 0.00 0.07 0.00 0.00 59.36 59.17 2d8c h GLU 42 Cb 0.95 -0.28 -0.11 0.00 0.50 0.00 0.00 28.75 29.81 2d8c h GLU 42 CO 0.06 0.83 0.08 -2.39 0.07 0.00 0.00 179.01 177.65 2d8c n HIS 43 N -4.43 1.46 -3.76 2.06 1.44 -1.26 -4.70 115.22 106.02 2d8c n HIS 43 Ca 0.13 -1.41 -0.34 0.00 -2.01 0.00 0.00 57.72 54.09 2d8c n HIS 43 Cb 0.06 -0.53 -0.05 0.00 0.12 0.00 0.00 29.99 29.59 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 -3.12 3.56 0.05 -1.40 0.40 -0.85 -4.99 117.98 111.62 2d8c s PHE 44 Ca 0.47 0.54 0.04 0.00 -0.60 0.00 0.00 56.93 57.38 2d8c s PHE 44 Cb 0.40 -1.97 -0.04 0.00 0.51 0.00 0.00 43.02 41.93 2d8c s PHE 44 CO 0.05 0.59 -0.06 0.95 0.70 0.00 0.00 175.22 177.45 2d8c s THR 45 N -1.35 3.68 0.29 0.64 -4.23 -1.26 -4.31 115.64 109.09 2d8c s THR 45 Ca 0.30 -0.93 0.20 0.00 -1.18 0.00 0.00 61.69 60.07 2d8c s THR 45 Cb -0.13 -2.67 0.31 0.00 1.34 0.00 0.00 72.50 71.36 2d8c s THR 45 CO 0.18 0.27 1.07 0.61 -0.54 0.00 0.00 174.62 176.20 2d8c n GLY 46 N 1.13 -0.56 0.09 3.99 0.00 -1.26 0.16 105.19 108.75 2d8c n GLY 46 Ca -0.14 0.53 -0.13 0.00 0.00 0.00 0.00 46.02 46.28 2d8c n GLY 46 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2d8c h GLN 47 N 0.00 -0.10 -0.55 1.61 5.75 -1.09 -2.33 115.11 118.40 2d8c h GLN 47 Ca 0.59 0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 59.04 2d8c h GLN 47 Cb 1.83 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 30.38 2d8c h GLN 47 CO -0.37 0.33 0.08 -0.44 -2.65 0.00 0.00 178.83 175.78 2d8c h ASP 48 N -0.58 0.83 -0.15 -0.69 5.19 0.12 -2.06 116.42 119.10 2d8c h ASP 48 Ca -0.01 -0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.22 2d8c h ASP 48 Cb 0.48 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.76 2d8c h ASP 48 CO 0.02 0.85 0.09 0.25 -3.12 0.00 0.00 179.24 177.33 2d8c h LEU 49 N 0.83 0.17 -1.68 1.55 6.46 -0.61 -1.98 115.31 120.04 2d8c h LEU 49 Ca 0.17 -0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.89 2d8c h LEU 49 Cb 0.38 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.27 2d8c h LEU 49 CO 0.01 0.13 -0.12 0.16 -0.62 0.00 0.00 178.44 178.00 2d8c h ILE 50 N 0.19 0.41 -0.05 4.05 3.07 -1.27 -2.17 117.51 121.74 2d8c h ILE 50 Ca 0.05 -0.66 0.00 0.00 1.55 0.00 0.00 64.86 65.80 2d8c h ILE 50 Cb -0.01 1.47 0.00 0.00 -0.27 0.00 0.00 36.82 38.01 2d8c h ILE 50 CO -0.01 0.12 0.00 0.59 -1.05 0.00 0.00 178.15 177.80 2d8c n ASN 51 N -3.41 0.83 -4.79 2.16 3.02 -0.75 -4.84 115.26 107.48 2d8c n ASN 51 Ca -0.01 -2.04 -0.39 0.00 -0.03 0.00 0.00 54.58 52.12 2d8c n ASN 51 Cb 0.29 -0.27 -0.06 0.00 -0.61 0.00 0.00 39.78 39.14 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 -0.63 4.52 0.22 3.41 1.43 -0.82 -5.04 118.68 121.76 2d8c s LEU 52 Ca 0.04 1.36 0.02 0.00 -1.03 0.00 0.00 54.13 54.52 2d8c s LEU 52 Cb 0.03 -3.04 -0.05 0.00 0.03 0.00 0.00 46.19 43.16 2d8c s LEU 52 CO 0.02 0.20 0.04 0.42 0.23 0.00 0.00 176.35 177.26 2d8c s THR 53 N -0.84 0.68 0.37 5.49 -4.23 -1.26 -5.00 115.64 110.85 2d8c s THR 53 Ca 0.32 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.95 2d8c s THR 53 Cb -0.20 -2.38 0.34 0.00 1.34 0.00 0.00 72.50 71.60 2d8c s THR 53 CO 0.21 -0.25 1.87 -0.61 -0.54 0.00 0.00 174.62 175.30 2d8c h GLN 54 N 2.53 0.59 -0.45 3.99 -0.00 -1.96 0.68 115.11 120.49 2d8c h GLN 54 Ca -0.38 -0.04 -0.06 0.00 -0.00 0.00 0.00 58.65 58.18 2d8c h GLN 54 Cb 1.23 -0.13 -0.02 0.00 0.00 0.00 0.00 27.48 28.55 2d8c h GLN 54 CO 0.62 0.39 0.03 1.05 0.00 0.00 0.00 178.83 180.92 2d8c h GLU 55 N 0.61 0.71 0.00 1.69 4.11 -1.98 -1.90 114.58 117.82 2d8c h GLU 55 Ca 0.45 -0.17 0.00 0.00 0.07 0.00 0.00 59.36 59.71 2d8c h GLU 55 Cb 0.83 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2d8c h GLU 55 CO -0.20 0.71 0.01 -0.44 0.07 0.00 0.00 179.01 179.16 2d8c h ASP 56 N 0.68 0.00 0.81 3.06 5.19 -1.20 -0.43 116.42 124.53 2d8c h ASP 56 Ca 0.14 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.31 2d8c h ASP 56 Cb 0.38 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.87 2d8c h ASP 56 CO 0.01 0.00 -1.09 -0.26 -3.12 0.00 0.00 179.24 174.78 2d8c h PHE 57 N 0.00 0.24 -0.05 4.55 -1.00 -1.32 -3.22 116.94 116.13 2d8c h PHE 57 Ca 0.00 -0.17 0.01 0.00 2.81 0.00 0.00 57.97 60.62 2d8c h PHE 57 Cb 0.02 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 39.57 2d8c h PHE 57 CO 0.00 1.12 0.06 0.87 -1.61 0.00 0.00 178.31 178.75 2d8c h LYS 58 N 0.04 0.00 -5.52 1.51 1.57 -1.11 -3.34 116.57 109.72 2d8c h LYS 58 Ca -0.07 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.24 2d8c h LYS 58 Cb 1.84 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 34.00 2d8c h LYS 58 CO 0.16 0.00 -0.69 -1.59 -0.57 0.00 0.00 179.45 176.76 2d8c s LYS 59 N -4.60 1.47 0.91 3.15 -2.85 -1.22 -4.99 119.74 111.62 2d8c s LYS 59 Ca -0.05 -1.72 -0.12 0.00 -1.00 0.00 0.00 55.97 53.09 2d8c s LYS 59 Cb 0.15 -1.13 0.14 0.00 -2.06 0.00 0.00 37.83 34.92 2d8c s LYS 59 CO 0.53 0.09 1.09 -1.25 0.10 0.00 0.00 175.35 175.91 2d8c s PRO 60 N -3.70 1.16 0.24 1.78 0.04 -1.26 -3.55 135.00 129.71 2d8c s PRO 60 Ca 0.27 0.79 0.02 0.00 0.04 0.00 0.00 61.00 62.11 2d8c s PRO 60 Cb 0.02 -1.80 0.29 0.00 0.04 0.00 0.00 34.50 33.05 2d8c s PRO 60 CO 0.10 -2.30 1.61 -1.00 0.04 0.00 0.00 177.00 175.45 2d8c h PRO 61 N -1.59 0.42 -5.84 0.56 0.13 -1.93 -3.48 132.00 120.26 2d8c h PRO 61 Ca -0.50 -0.22 -0.49 0.00 -0.87 0.00 0.00 66.00 63.92 2d8c h PRO 61 Cb 1.29 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 2d8c h PRO 61 CO 0.55 0.78 1.47 -0.51 -0.23 0.00 0.00 178.00 180.07 2d8c s LEU 62 N -8.34 3.35 -0.19 1.56 1.43 -1.23 -4.90 118.68 110.36 2d8c s LEU 62 Ca -0.06 0.75 -0.08 0.00 -1.03 0.00 0.00 54.13 53.71 2d8c s LEU 62 Cb 0.13 -2.60 0.08 0.00 0.03 0.00 0.00 46.19 43.83 2d8c s LEU 62 CO 0.81 -2.55 0.42 -0.47 0.23 0.00 0.00 176.35 174.79 2d8c s TYR 63 N 10.27 -0.74 -1.56 0.29 5.04 -1.25 -3.95 117.35 125.45 2d8c s TYR 63 Ca 0.82 1.46 0.00 0.00 -2.44 0.00 0.00 57.07 56.90 2d8c s TYR 63 Cb -0.16 0.29 0.00 0.00 0.35 0.00 0.00 41.96 42.45 2d8c s TYR 63 CO 0.24 -0.44 0.00 0.54 -1.34 0.00 0.00 175.55 174.55 2d8c n ARG 64 N 5.09 -1.67 -0.26 4.97 5.12 -1.26 -4.84 116.66 123.82 2d8c n ARG 64 Ca -0.12 0.87 -0.06 0.00 -1.93 0.00 0.00 57.85 56.61 2d8c n ARG 64 Cb 0.51 -5.34 0.05 0.00 -1.16 0.00 0.00 32.46 26.52 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 1.24 -2.69 1.55 2.07 -1.92 -3.44 116.25 113.05 2d8c h VAL 65 Ca -0.36 -0.74 -0.58 0.00 0.82 0.00 0.00 66.70 65.84 2d8c h VAL 65 Cb 1.17 0.40 -0.16 0.00 -1.52 0.00 0.00 31.29 31.19 2d8c h VAL 65 CO 0.47 0.30 -0.77 -0.55 0.02 0.00 0.00 177.57 177.04 2d8c s SER 66 N -6.20 3.26 0.33 0.57 0.15 -1.26 -4.96 113.70 105.59 2d8c s SER 66 Ca -0.13 -0.97 0.25 0.00 0.70 0.00 0.00 55.95 55.81 2d8c s SER 66 Cb 0.14 -0.24 0.62 0.00 -1.71 0.00 0.00 66.02 64.83 2d8c s SER 66 CO 0.82 0.01 1.71 0.28 1.20 0.00 0.00 173.24 177.26 2d8c h SER 67 N 2.67 0.00 -0.37 5.45 0.02 -2.02 -3.20 113.55 116.10 2d8c h SER 67 Ca -0.41 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.38 2d8c h SER 67 Cb 1.23 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.68 2d8c h SER 67 CO 0.56 0.00 0.20 -0.67 -1.14 0.00 0.00 176.83 175.78 2d8c n ASP 68 N -2.67 3.23 -3.22 3.07 -0.08 -1.26 -4.83 116.55 110.80 2d8c n ASP 68 Ca 0.05 -2.60 -0.23 0.00 -1.51 0.00 0.00 54.79 50.49 2d8c n ASP 68 Cb 0.47 -0.63 0.04 0.00 2.34 0.00 0.00 41.12 43.34 2d8c n ASP 68 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2d8c n ASN 69 N -0.07 -5.80 -1.83 1.67 2.85 -1.21 -1.64 115.26 109.23 2d8c n ASN 69 Ca 0.22 -0.37 -0.13 0.00 -0.11 0.00 0.00 54.58 54.18 2d8c n ASN 69 Cb 0.90 -4.67 0.02 0.00 1.24 0.00 0.00 39.78 37.27 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 -1.58 -0.04 0.07 8.20 0.00 -1.25 -4.96 105.19 105.63 2d8c n GLY 70 Ca -0.07 -0.26 -0.07 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.74 0.00 -0.89 1.61 5.75 -1.68 -3.12 115.11 116.04 2d8c h GLN 71 Ca -0.31 0.00 0.15 0.00 -0.15 0.00 0.00 58.65 58.34 2d8c h GLN 71 Cb 1.22 0.00 -0.15 0.00 1.07 0.00 0.00 27.48 29.62 2d8c h GLN 71 CO 0.34 0.33 -0.32 -2.13 -2.65 0.00 0.00 178.83 174.40 2d8c n ARG 72 N -4.66 -0.18 0.43 1.69 0.63 -1.26 -0.19 116.66 113.12 2d8c n ARG 72 Ca -0.08 1.37 -0.17 0.00 -0.92 0.00 0.00 57.85 58.06 2d8c n ARG 72 Cb 0.25 -2.04 -0.08 0.00 0.45 0.00 0.00 32.46 31.04 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 -0.94 -0.99 6.15 5.85 -1.98 -1.24 115.31 122.16 2d8c h LEU 73 Ca 0.34 0.03 0.35 0.00 0.84 0.00 0.00 57.88 59.44 2d8c h LEU 73 Cb 0.56 0.24 -0.16 0.00 0.37 0.00 0.00 40.66 41.67 2d8c h LEU 73 CO -0.89 -0.60 0.51 -0.07 -0.34 0.00 0.00 178.44 177.05 2d8c h LEU 74 N -1.25 0.37 -0.34 2.25 3.38 -1.03 0.80 115.31 119.49 2d8c h LEU 74 Ca -0.11 0.22 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 2d8c h LEU 74 Cb 0.85 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 2d8c h LEU 74 CO 0.19 -0.25 -0.36 -0.78 0.09 0.00 0.00 178.44 177.33 2d8c h ASP 75 N 0.20 0.90 0.32 -0.43 3.58 -0.42 0.14 116.42 120.70 2d8c h ASP 75 Ca 0.75 -0.48 -0.06 0.00 0.42 0.00 0.00 57.03 57.66 2d8c h ASP 75 Cb 1.80 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 42.59 2d8c h ASP 75 CO -0.68 1.19 -0.30 0.24 -2.88 0.00 0.00 179.24 176.81 2d8c h MET 76 N 0.62 0.00 0.19 0.28 2.86 0.17 -3.04 114.93 116.02 2d8c h MET 76 Ca 0.05 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.34 2d8c h MET 76 Cb 0.95 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.62 2d8c h MET 76 CO 0.09 0.30 -1.70 0.82 1.06 0.00 0.00 176.91 177.48 2d8c h ILE 77 N 0.00 0.99 -0.96 -1.22 2.04 -0.54 -3.34 117.51 114.48 2d8c h ILE 77 Ca -0.00 -2.53 0.30 0.00 1.00 0.00 0.00 64.86 63.63 2d8c h ILE 77 Cb 0.54 2.80 -0.16 0.00 -0.74 0.00 0.00 36.82 39.26 2d8c h ILE 77 CO 0.04 0.85 0.31 -0.08 0.00 0.00 0.00 178.15 179.27 2d8c h GLU 78 N 0.09 0.13 0.00 2.37 4.22 -0.60 1.56 114.58 122.34 2d8c h GLU 78 Ca -0.33 -0.01 -0.09 0.00 0.08 0.00 0.00 59.36 59.01 2d8c h GLU 78 Cb 2.09 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.30 2d8c h GLU 78 CO 0.19 0.09 -0.41 0.00 -2.18 0.00 0.00 179.01 176.69 2d8c h THR 79 N 0.13 1.18 0.00 0.32 1.03 -1.69 -2.02 112.91 111.86 2d8c h THR 79 Ca 0.66 -1.47 -0.01 0.00 -0.01 0.00 0.00 66.41 65.57 2d8c h THR 79 Cb 1.50 1.82 -0.00 0.00 -1.07 0.00 0.00 68.15 70.40 2d8c h THR 79 CO -0.74 0.41 -0.07 -0.07 -0.01 0.00 0.00 175.52 175.04 2d8c h LEU 80 N 0.00 0.00 0.00 0.00 3.38 0.21 -3.19 115.31 115.71 2d8c h LEU 80 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2d8c h LEU 80 Cb 0.79 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2d8c h LEU 80 CO 0.05 0.07 -0.94 0.29 0.09 0.00 0.00 178.44 178.00 2d8c n LYS 81 N -3.32 0.50 -0.41 1.13 4.01 -0.97 -4.05 118.16 115.05 2d8c n LYS 81 Ca -0.01 0.41 0.33 0.00 -0.51 0.00 0.00 58.31 58.53 2d8c n LYS 81 Cb 0.25 -1.60 0.52 0.00 -0.51 0.00 0.00 35.03 33.69 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 -4.51 -0.02 0.09 1.97 0.00 -0.80 0.14 117.12 113.99 2d8c n MET 82 Ca -0.17 0.84 -0.11 0.00 0.00 0.00 0.00 57.70 58.27 2d8c n MET 82 Cb 0.45 -1.77 -0.07 0.00 0.00 0.00 0.00 33.22 31.84 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 -0.29 -6.70 3.17 4.39 -1.74 -3.46 114.58 109.96 2d8c h GLU 83 Ca 0.64 0.02 -0.49 0.00 0.34 0.00 0.00 59.36 59.87 2d8c h GLU 83 Cb 2.30 0.07 0.23 0.00 -0.10 0.00 0.00 28.75 31.24 2d8c h GLU 83 CO -0.20 0.07 -0.90 1.58 -1.16 0.00 0.00 179.01 178.40 2d8c n HIS 84 N -4.99 -1.54 -0.79 4.33 -0.00 0.36 -4.75 115.22 107.83 2d8c n HIS 84 Ca -0.08 0.19 -0.09 0.00 0.46 0.00 0.00 57.72 58.20 2d8c n HIS 84 Cb 0.25 -1.66 -0.12 0.00 -0.12 0.00 0.00 29.99 28.34 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 -3.97 0.00 -3.49 1.57 8.25 -1.26 -4.88 115.22 111.44 2d8c n HIS 85 Ca 0.03 -1.22 -0.34 0.00 -0.26 0.00 0.00 57.72 55.93 2d8c n HIS 85 Cb 0.58 -1.28 -0.05 0.00 1.12 0.00 0.00 29.99 30.35 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 1.16 3.83 -0.42 -0.41 -1.94 -1.26 -5.07 119.30 115.19 2d8c s MET 86 Ca 0.49 0.28 0.03 0.00 -1.71 0.00 0.00 55.69 54.78 2d8c s MET 86 Cb 0.23 -2.93 0.12 0.00 2.01 0.00 0.00 34.83 34.26 2d8c s MET 86 CO 0.00 0.50 0.16 -1.83 -0.01 0.00 0.00 175.02 173.84 2d8c s GLU 87 N -2.07 1.57 0.04 2.03 -1.05 -1.26 -4.97 118.70 112.99 2d8c s GLU 87 Ca 0.37 -2.11 -0.09 0.00 -0.15 0.00 0.00 54.97 52.99 2d8c s GLU 87 Cb -0.14 -3.02 0.00 0.00 -0.44 0.00 0.00 34.13 30.54 2d8c s GLU 87 CO 0.19 -1.04 0.18 0.00 0.95 0.00 0.00 175.26 175.54 2d8c s ALA 88 N 0.44 -0.33 0.22 -0.84 0.00 -1.26 -5.13 121.76 114.86 2d8c s ALA 88 Ca 0.14 -0.31 -0.31 0.00 0.00 0.00 0.00 51.96 51.48 2d8c s ALA 88 Cb -0.22 0.27 -0.11 0.00 0.00 0.00 0.00 23.12 23.06 2d8c s ALA 88 CO -0.06 -0.35 1.66 -3.38 0.00 0.00 0.00 175.76 173.63 2d8c s HIS 89 N -2.54 2.92 0.44 0.00 -3.43 -1.26 -4.99 115.29 106.43 2d8c s HIS 89 Ca -0.05 0.51 -0.07 0.00 -0.80 0.00 0.00 55.06 54.64 2d8c s HIS 89 Cb -0.01 -4.07 -0.05 0.00 -1.43 0.00 0.00 32.58 27.02 2d8c s HIS 89 CO -0.04 -3.94 0.77 0.15 -2.00 0.00 0.00 174.74 169.68 2d8c s LYS 90 N 0.82 3.64 -0.17 -0.38 1.02 -1.26 -5.04 119.74 118.37 2d8c s LYS 90 Ca 0.71 0.31 -0.17 0.00 0.02 0.00 0.00 55.97 56.84 2d8c s LYS 90 Cb -0.48 -2.39 -0.06 0.00 -0.52 0.00 0.00 37.83 34.38 2d8c s LYS 90 CO 0.35 -0.12 -0.34 -1.71 -0.92 0.00 0.00 175.35 172.62 2d8c n ASN 91 N -1.81 1.91 -4.15 2.83 5.15 -1.26 -4.93 115.26 113.00 2d8c n ASN 91 Ca 0.01 0.32 -0.34 0.00 -0.60 0.00 0.00 54.58 53.97 2d8c n ASN 91 Cb 0.55 -0.72 -0.14 0.00 -0.53 0.00 0.00 39.78 38.93 2d8c n ASN 91 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2d8c s SER 92 N -5.93 4.85 0.36 1.20 0.01 -1.26 -5.09 113.70 107.84 2d8c s SER 92 Ca -0.28 -1.37 -0.28 0.00 1.31 0.00 0.00 55.95 55.33 2d8c s SER 92 Cb 0.04 -1.69 -0.11 0.00 0.21 0.00 0.00 66.02 64.46 2d8c s SER 92 CO 0.41 -0.27 1.45 0.61 0.41 0.00 0.00 173.24 175.85 2d8c n GLY 93 N 4.58 1.06 3.73 3.44 0.00 -1.26 -4.93 105.19 111.81 2d8c n GLY 93 Ca -0.12 0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.91 4.37 -0.27 1.61 0.04 -1.26 -5.02 135.00 132.57 2d8c s PRO 94 Ca 0.55 2.04 -0.01 0.00 0.04 0.00 0.00 61.00 63.62 2d8c s PRO 94 Cb -0.50 -3.22 0.15 0.00 0.04 0.00 0.00 34.50 30.97 2d8c s PRO 94 CO 0.62 -0.30 0.40 -1.54 0.04 0.00 0.00 177.00 176.22 2d8c s SER 95 N 0.59 0.22 0.20 6.66 1.04 -1.26 -5.03 113.70 116.11 2d8c s SER 95 Ca 0.59 0.02 -0.11 0.00 0.48 0.00 0.00 55.95 56.92 2d8c s SER 95 Cb -0.36 1.17 0.13 0.00 0.10 0.00 0.00 66.02 67.06 2d8c s SER 95 CO 0.35 -0.32 1.86 0.77 0.98 0.00 0.00 173.24 176.89 2d8c h SER 96 N 8.16 0.77 0.00 7.02 4.64 -2.05 -3.57 113.55 128.52 2d8c h SER 96 Ca -0.15 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2d8c h SER 96 Cb 1.14 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2d8c h SER 96 CO 0.27 0.55 0.00 0.61 -0.87 0.00 0.00 176.83 177.39