#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 2.17 -4.15 1.61 2.88 -1.26 -4.94 113.62 109.93 2d8c n SER 2 Ca 0.00 1.12 -0.38 0.00 -1.33 0.00 0.00 58.87 58.28 2d8c n SER 2 Cb 0.00 -1.30 -0.10 0.00 -0.75 0.00 0.00 64.21 62.06 2d8c n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2d8c s SER 3 N 0.50 5.40 0.33 -3.46 1.04 -1.26 -5.02 113.70 111.23 2d8c s SER 3 Ca 0.79 -2.06 0.00 0.00 0.48 0.00 0.00 55.95 55.15 2d8c s SER 3 Cb -0.82 -1.89 0.00 0.00 0.10 0.00 0.00 66.02 63.42 2d8c s SER 3 CO 0.45 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.71 2d8c n GLY 4 N 4.60 -2.33 3.33 7.32 0.00 -1.26 -4.60 105.19 112.24 2d8c n GLY 4 Ca -0.03 -1.23 -0.47 0.00 0.00 0.00 0.00 46.02 44.30 2d8c n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d8c s SER 5 N -6.43 6.83 -1.83 1.61 1.04 -1.26 -4.66 113.70 109.00 2d8c s SER 5 Ca 0.00 -2.82 -0.20 0.00 0.48 0.00 0.00 55.95 53.41 2d8c s SER 5 Cb 0.00 -2.21 0.20 0.00 0.10 0.00 0.00 66.02 64.11 2d8c s SER 5 CO 0.00 -0.53 0.52 -1.54 0.98 0.00 0.00 173.24 172.67 2d8c n SER 6 N 3.78 -1.50 0.00 7.02 3.41 -1.26 -4.63 113.62 120.44 2d8c n SER 6 Ca 0.15 -1.24 0.00 0.00 -0.26 0.00 0.00 58.87 57.52 2d8c n SER 6 Cb 0.46 -1.67 0.00 0.00 -0.26 0.00 0.00 64.21 62.74 2d8c n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d8c n GLY 7 N -1.30 0.06 3.33 5.00 0.00 -1.26 -5.17 105.19 105.84 2d8c n GLY 7 Ca 0.05 0.25 -0.13 0.00 0.00 0.00 0.00 46.02 46.19 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 0.48 0.50 -0.34 1.61 0.00 -1.26 -5.04 119.30 115.25 2d8c s MET 8 Ca 0.00 0.61 -0.29 0.00 0.00 0.00 0.00 55.69 56.01 2d8c s MET 8 Cb 0.00 0.24 0.01 0.00 0.00 0.00 0.00 34.83 35.08 2d8c s MET 8 CO 0.00 -0.06 1.30 -1.17 0.00 0.00 0.00 175.02 175.09 2d8c s LEU 9 N 0.25 3.79 -0.04 4.11 0.20 -1.26 -4.61 118.68 121.13 2d8c s LEU 9 Ca -0.00 1.04 -0.01 0.00 0.69 0.00 0.00 54.13 55.84 2d8c s LEU 9 Cb -0.03 -3.54 -0.02 0.00 -0.43 0.00 0.00 46.19 42.17 2d8c s LEU 9 CO 0.00 -1.17 -0.04 -0.24 -0.29 0.00 0.00 176.35 174.61 2d8c n SER 10 N 7.90 1.11 -4.54 3.68 2.88 -1.26 -5.00 113.62 118.40 2d8c n SER 10 Ca 0.15 0.03 -0.52 0.00 -1.33 0.00 0.00 58.87 57.20 2d8c n SER 10 Cb 0.47 -0.10 -0.07 0.00 -0.75 0.00 0.00 64.21 63.77 2d8c n SER 10 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2d8c n ALA 11 N -3.03 0.75 -3.03 -1.46 0.00 -1.26 -4.92 120.51 107.55 2d8c n ALA 11 Ca -0.07 0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.35 2d8c n ALA 11 Cb 0.56 -2.46 -0.08 0.00 0.00 0.00 0.00 19.45 17.47 2d8c n ALA 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2d8c s ARG 12 N 5.29 0.73 0.81 0.00 6.06 -1.26 -5.10 118.95 125.49 2d8c s ARG 12 Ca 1.05 -0.45 -0.13 0.00 -2.50 0.00 0.00 55.73 53.70 2d8c s ARG 12 Cb -0.89 0.32 0.09 0.00 0.06 0.00 0.00 34.95 34.52 2d8c s ARG 12 CO 0.54 -0.22 1.19 -0.08 -2.50 0.00 0.00 175.30 174.22 2d8c s THR 13 N -2.20 2.15 -0.07 4.11 -1.32 -1.26 -4.97 115.64 112.07 2d8c s THR 13 Ca -0.08 0.06 0.22 0.00 -1.21 0.00 0.00 61.69 60.68 2d8c s THR 13 Cb -0.02 -2.42 0.43 0.00 -1.51 0.00 0.00 72.50 68.99 2d8c s THR 13 CO -0.01 -0.05 1.18 1.15 -2.21 0.00 0.00 174.62 174.67 2d8c n MET 14 N -3.40 0.58 0.09 7.08 0.00 -1.26 -4.80 117.12 115.41 2d8c n MET 14 Ca 0.13 -2.46 -0.23 0.00 0.00 0.00 0.00 57.70 55.14 2d8c n MET 14 Cb 0.51 -0.54 -0.13 0.00 0.00 0.00 0.00 33.22 33.05 2d8c n MET 14 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 2d8c h LYS 15 N 1.15 0.63 0.00 3.17 3.64 -1.93 -3.39 116.57 119.84 2d8c h LYS 15 Ca -0.16 -0.85 -0.11 0.00 -1.27 0.00 0.00 60.65 58.27 2d8c h LYS 15 Cb 1.64 0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 33.73 2d8c h LYS 15 CO 0.10 1.39 -0.87 -0.85 -2.27 0.00 0.00 179.45 176.94 2d8c n GLU 16 N -3.79 0.50 -1.80 1.90 0.28 -1.26 -2.55 120.64 113.92 2d8c n GLU 16 Ca -0.14 0.55 -0.04 0.00 -0.16 0.00 0.00 57.16 57.36 2d8c n GLU 16 Cb 0.99 -1.71 -0.01 0.00 1.43 0.00 0.00 31.44 32.14 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 -4.53 -0.10 -0.02 3.84 3.14 -1.26 -4.63 118.33 114.77 2d8c n VAL 17 Ca -0.19 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.17 2d8c n VAL 17 Cb 0.46 -0.53 -0.02 0.00 -1.06 0.00 0.00 33.84 32.69 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 -2.05 0.20 1.05 1.55 0.24 -1.26 -2.51 118.33 115.55 2d8c n VAL 18 Ca -0.05 -0.08 0.06 0.00 -2.04 0.00 0.00 64.34 62.23 2d8c n VAL 18 Cb 0.34 -0.68 0.19 0.00 -1.47 0.00 0.00 33.84 32.22 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 -2.52 0.38 -0.28 6.34 4.01 -1.26 -1.64 117.16 122.18 2d8c n TYR 19 Ca -0.06 -0.19 -0.25 0.00 -0.16 0.00 0.00 57.90 57.24 2d8c n TYR 19 Cb 0.57 0.00 0.25 0.00 -0.31 0.00 0.00 39.34 39.85 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 0.39 -3.39 -4.00 -0.72 7.02 -1.26 -4.95 117.44 110.52 2d8c n TRP 20 Ca 0.12 -0.58 -0.23 0.00 -1.02 0.00 0.00 57.50 55.78 2d8c n TRP 20 Cb 0.27 -1.23 -0.06 0.00 -2.42 0.00 0.00 31.31 27.87 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 -2.76 4.68 0.30 -0.99 0.01 -1.26 -4.45 113.70 109.23 2d8c s SER 21 Ca 0.56 -0.86 0.25 0.00 1.31 0.00 0.00 55.95 57.20 2d8c s SER 21 Cb -0.10 -0.62 1.04 0.00 0.21 0.00 0.00 66.02 66.56 2d8c s SER 21 CO 0.47 -0.45 1.75 1.55 0.41 0.00 0.00 173.24 176.96 2d8c h PRO 22 N 1.40 0.00 0.00 12.44 0.13 -1.90 -2.45 132.00 141.61 2d8c h PRO 22 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 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 0.64 0.00 -1.61 1.63 -0.23 0.00 0.00 178.00 178.43 2d8c n LYS 23 N -2.35 0.60 -0.08 0.86 4.76 -1.26 -4.44 118.16 116.25 2d8c n LYS 23 Ca 0.02 -0.09 -0.14 0.00 -2.87 0.00 0.00 58.31 55.24 2d8c n LYS 23 Cb 0.23 -1.62 -0.10 0.00 -1.84 0.00 0.00 35.03 31.71 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 -1.40 1.97 1.63 -1.81 -3.30 116.57 113.66 2d8c h LYS 24 Ca 0.00 0.00 0.47 0.00 -0.85 0.00 0.00 60.65 60.27 2d8c h LYS 24 Cb 0.97 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 32.47 2d8c h LYS 24 CO 0.00 0.80 0.92 0.28 -3.45 0.00 0.00 179.45 177.99 2d8c n VAL 25 N -4.58 -0.22 0.20 2.00 0.31 -0.96 -0.28 118.33 114.80 2d8c n VAL 25 Ca -0.15 1.71 -0.10 0.00 -0.01 0.00 0.00 64.34 65.80 2d8c n VAL 25 Cb 0.46 -2.81 -0.05 0.00 -0.91 0.00 0.00 33.84 30.53 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 1.47 -0.57 -1.15 3.52 0.00 -1.78 -3.16 119.26 117.59 2d8c h ALA 26 Ca 0.86 -0.14 0.42 0.00 0.00 0.00 0.00 54.91 56.04 2d8c h ALA 26 Cb 2.85 0.22 -0.15 0.00 0.00 0.00 0.00 17.79 20.71 2d8c h ALA 26 CO -0.40 -0.54 0.69 -0.44 0.00 0.00 0.00 179.25 178.56 2d8c h ASP 27 N -1.13 0.31 -0.68 0.00 3.32 -0.71 1.14 116.42 118.68 2d8c h ASP 27 Ca -0.06 0.20 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 2d8c h ASP 27 Cb 0.47 0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.18 2d8c h ASP 27 CO 0.10 -0.28 0.28 -0.25 -1.72 0.00 0.00 179.24 177.36 2d8c h TRP 28 N 0.08 1.03 0.61 4.55 7.01 -1.43 -1.44 115.95 126.37 2d8c h TRP 28 Ca 0.83 -0.08 -0.03 0.00 2.11 0.00 0.00 58.89 61.72 2d8c h TRP 28 Cb 2.33 -0.31 0.01 0.00 -2.10 0.00 0.00 29.16 29.09 2d8c h TRP 28 CO -0.01 0.80 -0.29 -0.07 -2.79 0.00 0.00 178.44 176.08 2d8c h LEU 29 N 0.97 -0.69 -1.86 0.65 3.38 0.14 -2.78 115.31 115.11 2d8c h LEU 29 Ca 0.23 0.02 0.22 0.00 0.09 0.00 0.00 57.88 58.44 2d8c h LEU 29 Cb 0.20 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 2d8c h LEU 29 CO -0.02 -0.48 0.57 -0.07 0.09 0.00 0.00 178.44 178.53 2d8c h LEU 30 N -0.83 0.12 -2.22 1.67 -0.00 -1.50 0.35 115.31 112.89 2d8c h LEU 30 Ca -0.08 0.01 0.04 0.00 -0.00 0.00 0.00 57.88 57.85 2d8c h LEU 30 Cb 0.62 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.27 2d8c h LEU 30 CO 0.14 0.05 0.15 -0.08 -0.00 0.00 0.00 178.44 178.70 2d8c h GLU 31 N 0.12 0.00 -0.09 1.13 4.57 -0.97 -0.65 114.58 118.69 2d8c h GLU 31 Ca 0.40 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.55 2d8c h GLU 31 Cb 1.40 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.98 2d8c h GLU 31 CO -0.05 0.00 -0.22 0.09 -1.18 0.00 0.00 179.01 177.65 2d8c n ASN 32 N -3.97 2.26 -3.50 1.04 3.02 0.11 -4.97 115.26 109.26 2d8c n ASN 32 Ca 0.01 -3.54 -0.18 0.00 -0.03 0.00 0.00 54.58 50.84 2d8c n ASN 32 Cb 0.27 -0.52 0.07 0.00 -0.61 0.00 0.00 39.78 38.99 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 -1.16 -2.06 -2.56 5.41 0.00 -0.25 -4.95 120.51 114.93 2d8c n ALA 33 Ca 0.21 -0.08 -0.22 0.00 0.00 0.00 0.00 53.44 53.35 2d8c n ALA 33 Cb 0.75 -2.56 0.01 0.00 0.00 0.00 0.00 19.45 17.65 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 -4.10 2.71 0.20 0.00 2.81 -0.54 -4.84 117.12 113.35 2d8c n MET 34 Ca -0.27 -4.14 0.14 0.00 -1.81 0.00 0.00 57.70 51.62 2d8c n MET 34 Cb 0.67 -1.94 0.59 0.00 -0.71 0.00 0.00 33.22 31.82 2d8c n MET 34 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2d8c h PRO 35 N 2.73 0.00 0.00 0.03 0.13 -1.90 -2.75 132.00 130.24 2d8c h PRO 35 Ca 0.17 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.25 2d8c h PRO 35 Cb 0.98 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 2d8c h PRO 35 CO 0.74 0.00 -0.23 1.05 -0.23 0.00 0.00 178.00 179.33 2d8c h GLU 36 N 0.00 0.00 0.00 0.86 9.09 -1.94 -2.58 114.58 120.01 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 0.41 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.51 2d8c h GLU 36 CO 0.00 0.23 -0.82 0.66 0.05 0.00 0.00 179.01 179.13 2d8c n TYR 37 N -3.50 0.02 0.19 2.06 4.01 -1.04 -4.15 117.16 114.75 2d8c n TYR 37 Ca -0.01 0.01 0.06 0.00 -0.16 0.00 0.00 57.90 57.80 2d8c n TYR 37 Cb 0.39 -0.13 0.52 0.00 -0.31 0.00 0.00 39.34 39.81 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 0.12 -0.91 0.00 0.00 4.39 -1.72 0.27 114.58 116.72 2d8c h GLU 39 Ca 0.03 0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.76 2d8c h GLU 39 Cb 0.16 0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2d8c h GLU 39 CO 0.01 -0.59 -0.16 -1.00 -1.16 0.00 0.00 179.01 176.11 2d8c h PRO 40 N -1.18 0.00 -0.63 2.33 0.13 -1.78 -2.59 132.00 128.28 2d8c h PRO 40 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2d8c h PRO 40 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2d8c h PRO 40 CO 0.16 0.16 0.00 1.28 -0.23 0.00 0.00 178.00 179.37 2d8c n LEU 41 N -3.37 4.05 -0.03 1.56 4.77 0.50 -4.58 117.00 119.90 2d8c n LEU 41 Ca -0.00 -2.17 -0.09 0.00 -0.03 0.00 0.00 56.01 53.71 2d8c n LEU 41 Cb 0.36 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 2d8c n LEU 41 CO 0.31 0.88 0.68 1.05 -1.33 0.00 0.00 177.39 178.99 2d8c h GLU 42 N 3.78 -0.29 -0.87 3.23 4.11 -0.03 -1.75 114.58 122.77 2d8c h GLU 42 Ca 0.00 0.02 -0.47 0.00 0.07 0.00 0.00 59.36 58.98 2d8c h GLU 42 Cb 1.11 0.07 -0.27 0.00 0.50 0.00 0.00 28.75 30.15 2d8c h GLU 42 CO 0.08 -0.19 0.51 -2.39 0.07 0.00 0.00 179.01 177.08 2d8c n HIS 43 N -5.39 2.70 -3.63 2.06 1.44 -1.26 -4.68 115.22 106.46 2d8c n HIS 43 Ca -0.02 -1.97 -0.37 0.00 -2.01 0.00 0.00 57.72 53.36 2d8c n HIS 43 Cb 0.30 -0.91 -0.06 0.00 0.12 0.00 0.00 29.99 29.44 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 -3.37 3.65 0.00 -1.40 0.40 -0.66 -4.95 117.98 111.65 2d8c s PHE 44 Ca 0.55 0.79 0.01 0.00 -0.60 0.00 0.00 56.93 57.69 2d8c s PHE 44 Cb 0.47 -2.15 -0.04 0.00 0.51 0.00 0.00 43.02 41.82 2d8c s PHE 44 CO 0.07 0.63 0.00 0.95 0.70 0.00 0.00 175.22 177.58 2d8c s THR 45 N -1.17 4.17 0.20 0.64 -4.23 -1.26 -4.29 115.64 109.70 2d8c s THR 45 Ca 0.25 -0.61 0.05 0.00 -1.18 0.00 0.00 61.69 60.20 2d8c s THR 45 Cb -0.15 -2.87 0.24 0.00 1.34 0.00 0.00 72.50 71.07 2d8c s THR 45 CO 0.13 0.37 0.96 0.61 -0.54 0.00 0.00 174.62 176.15 2d8c n GLY 46 N 1.36 -0.71 0.15 3.99 0.00 -1.26 0.24 105.19 108.95 2d8c n GLY 46 Ca -0.14 0.57 -0.10 0.00 0.00 0.00 0.00 46.02 46.34 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 0.42 -0.43 1.61 5.75 -1.00 -1.58 115.11 119.87 2d8c h GLN 47 Ca 0.42 -0.07 -0.14 0.00 -0.15 0.00 0.00 58.65 58.71 2d8c h GLN 47 Cb 0.97 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.44 2d8c h GLN 47 CO -0.54 0.43 -0.29 -0.44 -2.65 0.00 0.00 178.83 175.33 2d8c h ASP 48 N 0.31 0.99 -0.21 -0.69 5.19 0.27 -2.26 116.42 120.02 2d8c h ASP 48 Ca 0.09 -0.41 0.02 0.00 -0.62 0.00 0.00 57.03 56.11 2d8c h ASP 48 Cb 0.16 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 39.38 2d8c h ASP 48 CO -0.01 1.21 0.07 0.25 -3.12 0.00 0.00 179.24 177.64 2d8c h LEU 49 N 0.80 0.08 -1.56 1.55 6.46 -0.31 -1.49 115.31 120.83 2d8c h LEU 49 Ca 0.09 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.85 2d8c h LEU 49 Cb 0.88 0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.82 2d8c h LEU 49 CO 0.08 0.07 -0.10 0.16 -0.62 0.00 0.00 178.44 178.03 2d8c h ILE 50 N 0.17 0.29 -0.02 4.05 3.07 -1.27 -2.26 117.51 121.54 2d8c h ILE 50 Ca 0.09 -0.67 0.00 0.00 1.55 0.00 0.00 64.86 65.83 2d8c h ILE 50 Cb 0.06 1.52 0.00 0.00 -0.27 0.00 0.00 36.82 38.13 2d8c h ILE 50 CO -0.09 0.10 0.00 0.59 -1.05 0.00 0.00 178.15 177.69 2d8c n ASN 51 N -3.29 0.12 -4.76 2.16 3.02 -0.57 -4.82 115.26 107.11 2d8c n ASN 51 Ca -0.00 -2.00 -0.39 0.00 -0.03 0.00 0.00 54.58 52.15 2d8c n ASN 51 Cb 0.31 -0.02 -0.05 0.00 -0.61 0.00 0.00 39.78 39.41 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 -0.98 4.47 0.12 3.41 1.43 -0.85 -5.04 118.68 121.25 2d8c s LEU 52 Ca 0.01 1.42 0.03 0.00 -1.03 0.00 0.00 54.13 54.56 2d8c s LEU 52 Cb 0.01 -3.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.02 2d8c s LEU 52 CO 0.01 0.08 -0.07 0.42 0.23 0.00 0.00 176.35 177.02 2d8c s THR 53 N -0.35 0.85 0.38 5.49 -4.23 -1.26 -5.00 115.64 111.52 2d8c s THR 53 Ca 0.36 -1.98 0.19 0.00 -1.18 0.00 0.00 61.69 59.08 2d8c s THR 53 Cb -0.20 -1.79 0.39 0.00 1.34 0.00 0.00 72.50 72.24 2d8c s THR 53 CO 0.22 -0.79 1.71 -0.61 -0.54 0.00 0.00 174.62 174.61 2d8c h GLN 54 N 2.87 0.32 -0.24 3.99 -0.00 -1.92 0.94 115.11 121.07 2d8c h GLN 54 Ca -0.36 -0.02 -0.04 0.00 -0.00 0.00 0.00 58.65 58.23 2d8c h GLN 54 Cb 1.18 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 28.57 2d8c h GLN 54 CO 0.64 0.21 -0.04 1.05 0.00 0.00 0.00 178.83 180.70 2d8c h GLU 55 N 0.33 0.36 0.00 1.69 -0.00 -1.96 -1.84 114.58 113.16 2d8c h GLU 55 Ca 0.69 -0.07 -0.04 0.00 -0.00 0.00 0.00 59.36 59.93 2d8c h GLU 55 Cb 1.76 -0.06 -0.01 0.00 -0.00 0.00 0.00 28.75 30.45 2d8c h GLU 55 CO -0.42 0.42 -0.21 -0.44 -0.00 0.00 0.00 179.01 178.35 2d8c h ASP 56 N 0.35 0.00 -0.00 3.06 5.19 0.57 -2.69 116.42 122.89 2d8c h ASP 56 Ca 0.08 0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 56.27 2d8c h ASP 56 Cb 0.29 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.81 2d8c h ASP 56 CO 0.01 0.21 -0.81 -0.26 -3.12 0.00 0.00 179.24 175.28 2d8c h PHE 57 N 0.00 0.92 -0.68 4.55 -1.00 -1.18 -3.11 116.94 116.44 2d8c h PHE 57 Ca -0.00 -0.42 0.20 0.00 2.81 0.00 0.00 57.97 60.55 2d8c h PHE 57 Cb 0.45 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 39.85 2d8c h PHE 57 CO 0.00 1.24 0.70 0.87 -1.61 0.00 0.00 178.31 179.51 2d8c h LYS 58 N 0.44 0.00 -5.58 1.51 1.57 -1.34 -3.32 116.57 109.85 2d8c h LYS 58 Ca -0.06 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.23 2d8c h LYS 58 Cb 1.43 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.60 2d8c h LYS 58 CO 0.16 0.00 -0.70 -1.59 -0.57 0.00 0.00 179.45 176.75 2d8c s LYS 59 N -4.61 1.51 0.90 3.15 -2.85 -1.18 -4.98 119.74 111.69 2d8c s LYS 59 Ca -0.04 -1.74 -0.12 0.00 -1.00 0.00 0.00 55.97 53.08 2d8c s LYS 59 Cb 0.16 -1.20 0.13 0.00 -2.06 0.00 0.00 37.83 34.86 2d8c s LYS 59 CO 0.56 0.10 1.09 -1.25 0.10 0.00 0.00 175.35 175.95 2d8c s PRO 60 N -3.69 1.20 0.25 1.78 0.04 -1.26 -3.52 135.00 129.80 2d8c s PRO 60 Ca 0.28 0.80 0.03 0.00 0.04 0.00 0.00 61.00 62.14 2d8c s PRO 60 Cb 0.02 -1.80 0.31 0.00 0.04 0.00 0.00 34.50 33.07 2d8c s PRO 60 CO 0.11 -2.28 1.63 -1.00 0.04 0.00 0.00 177.00 175.50 2d8c h PRO 61 N -1.57 0.38 -5.85 0.56 0.13 -1.95 -3.48 132.00 120.21 2d8c h PRO 61 Ca -0.50 -0.20 -0.49 0.00 -0.87 0.00 0.00 66.00 63.94 2d8c h PRO 61 Cb 1.29 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 2d8c h PRO 61 CO 0.55 0.75 1.46 -0.51 -0.23 0.00 0.00 178.00 180.03 2d8c s LEU 62 N -8.30 3.35 -0.18 1.56 1.43 -1.23 -4.91 118.68 110.40 2d8c s LEU 62 Ca -0.06 0.70 -0.08 0.00 -1.03 0.00 0.00 54.13 53.65 2d8c s LEU 62 Cb 0.13 -2.58 0.07 0.00 0.03 0.00 0.00 46.19 43.84 2d8c s LEU 62 CO 0.80 -2.54 0.41 -0.47 0.23 0.00 0.00 176.35 174.78 2d8c s TYR 63 N 10.21 -0.66 -1.67 0.29 5.04 -1.25 -3.94 117.35 125.37 2d8c s TYR 63 Ca 0.80 1.36 -0.20 0.00 -2.44 0.00 0.00 57.07 56.59 2d8c s TYR 63 Cb -0.15 0.28 0.20 0.00 0.35 0.00 0.00 41.96 42.63 2d8c s TYR 63 CO 0.24 -0.39 0.58 0.54 -1.34 0.00 0.00 175.55 175.17 2d8c n ARG 64 N 4.64 -1.45 -0.30 4.97 5.12 -1.26 -4.78 116.66 123.59 2d8c n ARG 64 Ca -0.18 0.18 0.01 0.00 -1.93 0.00 0.00 57.85 55.93 2d8c n ARG 64 Cb 0.53 -4.79 0.20 0.00 -1.16 0.00 0.00 32.46 27.24 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 -0.91 1.17 -0.23 1.55 2.07 -1.93 -3.17 116.25 114.80 2d8c h VAL 65 Ca -0.54 -0.39 -0.22 0.00 0.82 0.00 0.00 66.70 66.37 2d8c h VAL 65 Cb 1.35 -0.07 -0.33 0.00 -1.52 0.00 0.00 31.29 30.72 2d8c h VAL 65 CO 0.78 0.21 -0.94 -0.24 0.02 0.00 0.00 177.57 177.41 2d8c n SER 66 N -4.43 1.84 -1.79 0.57 2.88 -1.26 -4.96 113.62 106.46 2d8c n SER 66 Ca 0.11 -2.58 0.00 0.00 -1.33 0.00 0.00 58.87 55.07 2d8c n SER 66 Cb 0.08 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 2d8c n SER 66 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2d8c n SER 67 N -0.28 -0.53 -0.68 -3.46 2.88 -1.20 -4.65 113.62 105.69 2d8c n SER 67 Ca 0.14 0.27 0.06 0.00 -1.33 0.00 0.00 58.87 58.00 2d8c n SER 67 Cb 0.94 -0.76 0.15 0.00 -0.75 0.00 0.00 64.21 63.79 2d8c n SER 67 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2d8c n ASP 68 N -0.35 1.58 -2.98 -3.46 8.00 -1.26 -4.96 116.55 113.12 2d8c n ASP 68 Ca 0.00 -3.28 -0.15 0.00 0.71 0.00 0.00 54.79 52.07 2d8c n ASP 68 Cb 0.27 -0.45 -0.01 0.00 -0.02 0.00 0.00 41.12 40.91 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 -0.79 -2.71 -3.16 -2.24 2.85 -1.26 -1.04 115.26 106.91 2d8c n ASN 69 Ca 0.15 -0.05 -0.15 0.00 -0.11 0.00 0.00 54.58 54.42 2d8c n ASN 69 Cb 0.77 -2.33 0.07 0.00 1.24 0.00 0.00 39.78 39.54 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 -0.85 -0.74 0.09 8.20 0.00 -1.26 -4.95 105.19 105.67 2d8c n GLY 70 Ca -0.03 0.35 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 2d8c n GLY 70 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2d8c n GLN 71 N -3.40 0.51 -0.32 1.61 -0.06 -0.20 -2.86 117.38 112.67 2d8c n GLN 71 Ca -0.14 0.50 0.06 0.00 -2.00 0.00 0.00 57.00 55.42 2d8c n GLN 71 Cb 0.63 -1.68 0.21 0.00 -4.06 0.00 0.00 30.24 25.34 2d8c n GLN 71 CO 0.00 0.00 0.00 -0.09 -0.20 0.00 0.00 177.06 176.77 2d8c h ARG 72 N -1.00 0.79 0.10 3.69 2.43 -1.94 -0.49 114.38 117.96 2d8c h ARG 72 Ca -0.18 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 58.94 2d8c h ARG 72 Cb 0.92 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 2d8c h ARG 72 CO -0.11 0.52 -0.05 1.25 -1.51 0.00 0.00 179.97 180.08 2d8c h LEU 73 N 0.82 -0.11 -1.05 3.80 5.85 -1.97 -2.20 115.31 120.44 2d8c h LEU 73 Ca 0.45 -0.46 0.24 0.00 0.84 0.00 0.00 57.88 58.95 2d8c h LEU 73 Cb 0.49 0.03 -0.12 0.00 0.37 0.00 0.00 40.66 41.43 2d8c h LEU 73 CO -0.28 0.47 0.61 -0.07 -0.34 0.00 0.00 178.44 178.82 2d8c h LEU 74 N -0.77 0.66 -0.27 2.25 3.38 -1.33 0.24 115.31 119.47 2d8c h LEU 74 Ca -0.01 0.12 -0.20 0.00 0.09 0.00 0.00 57.88 57.88 2d8c h LEU 74 Cb 0.57 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2d8c h LEU 74 CO 0.02 0.13 -0.72 -0.78 0.09 0.00 0.00 178.44 177.18 2d8c h ASP 75 N 0.58 0.81 0.16 -0.43 3.58 -1.13 -0.53 116.42 119.46 2d8c h ASP 75 Ca 0.63 -0.51 -0.06 0.00 0.42 0.00 0.00 57.03 57.51 2d8c h ASP 75 Cb 1.22 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 42.02 2d8c h ASP 75 CO -0.44 1.29 -0.22 0.24 -2.88 0.00 0.00 179.24 177.23 2d8c h MET 76 N 0.48 0.13 0.16 0.28 2.86 0.01 -3.06 114.93 115.80 2d8c h MET 76 Ca -0.03 -0.03 -0.29 0.00 -2.06 0.00 0.00 59.70 57.28 2d8c h MET 76 Cb 1.33 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 32.98 2d8c h MET 76 CO 0.14 0.35 -1.42 0.82 1.06 0.00 0.00 176.91 177.87 2d8c h ILE 77 N 0.12 1.12 -1.16 -1.22 2.04 -0.81 -3.33 117.51 114.26 2d8c h ILE 77 Ca 0.02 -2.49 0.37 0.00 1.00 0.00 0.00 64.86 63.75 2d8c h ILE 77 Cb 0.47 2.86 -0.13 0.00 -0.74 0.00 0.00 36.82 39.28 2d8c h ILE 77 CO 0.03 0.76 0.72 -0.08 0.00 0.00 0.00 178.15 179.59 2d8c h GLU 78 N -0.14 0.21 -0.01 2.37 4.81 -0.99 1.38 114.58 122.21 2d8c h GLU 78 Ca -0.28 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 58.80 2d8c h GLU 78 Cb 1.89 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 31.21 2d8c h GLU 78 CO 0.14 0.14 -0.64 0.00 -0.73 0.00 0.00 179.01 177.91 2d8c h THR 79 N 0.21 1.45 0.00 0.32 1.03 -1.66 -2.48 112.91 111.78 2d8c h THR 79 Ca 0.75 -2.19 -0.03 0.00 -0.01 0.00 0.00 66.41 64.93 2d8c h THR 79 Cb 2.08 2.17 -0.00 0.00 -1.07 0.00 0.00 68.15 71.33 2d8c h THR 79 CO -0.46 0.63 -0.14 -0.07 -0.01 0.00 0.00 175.52 175.47 2d8c h LEU 80 N 0.02 0.00 0.00 0.00 3.38 0.17 -3.20 115.31 115.69 2d8c h LEU 80 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2d8c h LEU 80 Cb 1.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 2d8c h LEU 80 CO 0.09 0.14 -0.39 0.11 0.09 0.00 0.00 178.44 178.48 2d8c h LYS 81 N 0.00 0.00 -1.46 1.13 6.56 -1.25 -3.31 116.57 118.23 2d8c h LYS 81 Ca -0.00 0.00 0.44 0.00 -1.06 0.00 0.00 60.65 60.02 2d8c h LYS 81 Cb 0.49 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 32.08 2d8c h LYS 81 CO 0.02 0.01 1.04 0.00 -2.06 0.00 0.00 179.45 178.46 2d8c n MET 82 N -4.66 -0.01 -0.04 3.15 0.00 -0.95 0.19 117.12 114.81 2d8c n MET 82 Ca -0.06 0.87 -0.13 0.00 0.00 0.00 0.00 57.70 58.38 2d8c n MET 82 Cb 0.20 -1.95 -0.11 0.00 0.00 0.00 0.00 33.22 31.36 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 -0.00 -7.03 3.17 4.39 -1.70 -3.46 114.58 109.95 2d8c h GLU 83 Ca 0.73 0.00 -0.46 0.00 0.34 0.00 0.00 59.36 59.97 2d8c h GLU 83 Cb 2.82 0.00 0.22 0.00 -0.10 0.00 0.00 28.75 31.69 2d8c h GLU 83 CO -0.08 0.73 -0.24 1.58 -1.16 0.00 0.00 179.01 179.84 2d8c n HIS 84 N -4.74 -0.99 -0.89 4.33 -0.00 0.50 -4.80 115.22 108.64 2d8c n HIS 84 Ca -0.09 0.02 -0.11 0.00 0.46 0.00 0.00 57.72 58.00 2d8c n HIS 84 Cb 0.36 -1.72 -0.15 0.00 -0.12 0.00 0.00 29.99 28.35 2d8c n HIS 84 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2d8c n HIS 85 N -4.67 0.00 -0.78 1.57 8.25 -1.26 -4.63 115.22 113.70 2d8c n HIS 85 Ca 0.04 -1.35 -0.08 0.00 -0.26 0.00 0.00 57.72 56.08 2d8c n HIS 85 Cb 0.55 -1.45 -0.06 0.00 1.12 0.00 0.00 29.99 30.15 2d8c n HIS 85 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2d8c n MET 86 N 2.51 1.53 -3.67 -0.41 2.81 -1.26 -4.62 117.12 114.01 2d8c n MET 86 Ca 0.38 -0.66 -0.31 0.00 -1.81 0.00 0.00 57.70 55.30 2d8c n MET 86 Cb 0.82 -1.49 -0.09 0.00 -0.71 0.00 0.00 33.22 31.75 2d8c n MET 86 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2d8c n GLU 87 N 1.72 2.35 -3.72 0.03 4.07 -1.26 -5.03 120.64 118.80 2d8c n GLU 87 Ca 0.22 -4.54 -0.13 0.00 -0.06 0.00 0.00 57.16 52.64 2d8c n GLU 87 Cb 0.66 -2.33 -0.10 0.00 -0.06 0.00 0.00 31.44 29.62 2d8c n GLU 87 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2d8c s ALA 88 N -1.77 -1.06 -0.38 4.31 0.00 -1.26 -5.12 121.76 116.48 2d8c s ALA 88 Ca 0.30 1.16 -0.29 0.00 0.00 0.00 0.00 51.96 53.13 2d8c s ALA 88 Cb 0.00 -0.65 0.01 0.00 0.00 0.00 0.00 23.12 22.49 2d8c s ALA 88 CO -0.11 -0.21 1.28 -3.38 0.00 0.00 0.00 175.76 173.35 2d8c s HIS 89 N 0.11 2.66 0.18 0.00 -3.43 -1.26 -4.77 115.29 108.78 2d8c s HIS 89 Ca -0.01 0.80 0.00 0.00 -0.80 0.00 0.00 55.06 55.05 2d8c s HIS 89 Cb -0.03 -4.13 0.00 0.00 -1.43 0.00 0.00 32.58 26.99 2d8c s HIS 89 CO 0.01 -1.62 0.00 1.17 -2.00 0.00 0.00 174.74 172.30 2d8c n LYS 90 N 7.63 0.00 -3.87 -0.38 3.00 -1.26 -5.00 118.16 118.29 2d8c n LYS 90 Ca 0.14 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.15 2d8c n LYS 90 Cb 0.48 -0.15 -0.12 0.00 0.00 0.00 0.00 35.03 35.23 2d8c n LYS 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2d8c s ASN 91 N -5.18 4.86 -0.81 3.14 4.22 -1.26 -5.03 114.94 114.87 2d8c s ASN 91 Ca 0.00 -3.54 -0.25 0.00 -2.14 0.00 0.00 52.86 46.94 2d8c s ASN 91 Cb 0.00 -1.69 -0.16 0.00 1.28 0.00 0.00 41.25 40.69 2d8c s ASN 91 CO 0.00 -0.16 2.39 -1.54 -2.04 0.00 0.00 177.10 175.76 2d8c n SER 92 N 2.44 1.55 -1.89 3.54 3.41 -1.26 -4.89 113.62 116.52 2d8c n SER 92 Ca 0.15 -1.44 0.00 0.00 -0.26 0.00 0.00 58.87 57.32 2d8c n SER 92 Cb 0.35 -1.58 0.00 0.00 -0.26 0.00 0.00 64.21 62.71 2d8c n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d8c n GLY 93 N 6.70 0.23 3.56 5.00 0.00 -1.26 -4.94 105.19 114.49 2d8c n GLY 93 Ca 0.48 -1.83 -0.27 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.68 2.54 0.54 1.61 0.04 -1.26 -4.96 135.00 132.83 2d8c s PRO 94 Ca 0.00 -0.48 -0.20 0.00 0.04 0.00 0.00 61.00 60.36 2d8c s PRO 94 Cb 0.00 -5.10 -0.06 0.00 0.04 0.00 0.00 34.50 29.38 2d8c s PRO 94 CO 0.00 -3.52 1.16 0.45 0.04 0.00 0.00 177.00 175.13 2d8c s SER 95 N 7.70 5.65 -0.05 6.66 0.15 -1.26 -5.05 113.70 127.50 2d8c s SER 95 Ca 0.70 2.27 -0.15 0.00 0.70 0.00 0.00 55.95 59.47 2d8c s SER 95 Cb -0.05 -2.59 0.03 0.00 -1.71 0.00 0.00 66.02 61.69 2d8c s SER 95 CO 0.02 -1.28 0.34 -0.55 1.20 0.00 0.00 173.24 172.98 2d8c s SER 96 N -1.62 -0.26 0.00 5.45 0.15 -1.26 -5.31 113.70 110.85 2d8c s SER 96 Ca 0.72 0.27 0.00 0.00 0.70 0.00 0.00 55.95 57.64 2d8c s SER 96 Cb -0.27 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 2d8c s SER 96 CO 0.30 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.98