#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 6.78 -0.30 1.61 0.01 -1.26 -4.89 113.70 115.65 2d8c s SER 2 Ca 0.00 -2.43 -0.10 0.00 1.31 0.00 0.00 55.95 54.73 2d8c s SER 2 Cb 0.00 -2.36 0.18 0.00 0.21 0.00 0.00 66.02 64.04 2d8c s SER 2 CO 0.00 -0.88 0.90 -0.44 0.41 0.00 0.00 173.24 173.23 2d8c s SER 3 N 3.13 -0.75 -0.41 2.44 0.01 -1.26 -5.05 113.70 111.82 2d8c s SER 3 Ca 0.33 0.60 0.05 0.00 1.31 0.00 0.00 55.95 58.23 2d8c s SER 3 Cb -0.05 1.68 0.47 0.00 0.21 0.00 0.00 66.02 68.32 2d8c s SER 3 CO -0.07 -0.14 1.49 0.61 0.41 0.00 0.00 173.24 175.54 2d8c n GLY 4 N 5.36 6.01 3.30 3.44 0.00 -1.26 -4.91 105.19 117.12 2d8c n GLY 4 Ca -0.06 -2.33 -0.45 0.00 0.00 0.00 0.00 46.02 43.18 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 -2.90 6.63 -1.21 1.61 0.15 -1.26 -4.98 113.70 111.74 2d8c s SER 5 Ca 0.54 -2.83 -0.13 0.00 0.70 0.00 0.00 55.95 54.23 2d8c s SER 5 Cb 0.44 -2.16 0.18 0.00 -1.71 0.00 0.00 66.02 62.77 2d8c s SER 5 CO 0.02 -0.51 1.44 -1.20 1.20 0.00 0.00 173.24 174.19 2d8c n SER 6 N 3.74 5.25 -2.09 5.45 7.64 -1.26 -4.84 113.62 127.51 2d8c n SER 6 Ca 0.14 -2.99 -0.22 0.00 1.01 0.00 0.00 58.87 56.81 2d8c n SER 6 Cb 0.45 -1.55 0.03 0.00 -1.01 0.00 0.00 64.21 62.13 2d8c n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d8c n GLY 7 N 3.88 4.53 2.68 0.23 0.00 -1.26 -4.82 105.19 110.44 2d8c n GLY 7 Ca 0.36 -1.49 -0.20 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.26 -0.07 -0.50 1.61 -2.45 -1.26 -5.11 119.30 109.26 2d8c s MET 8 Ca 0.42 0.38 -0.09 0.00 -1.25 0.00 0.00 55.69 55.16 2d8c s MET 8 Cb 0.32 -0.52 0.13 0.00 1.25 0.00 0.00 34.83 36.01 2d8c s MET 8 CO -0.05 -0.33 0.37 -1.17 1.05 0.00 0.00 175.02 174.88 2d8c s LEU 9 N 2.18 5.70 -1.26 4.11 2.96 -1.26 -4.98 118.68 126.12 2d8c s LEU 9 Ca 0.05 -2.04 -0.05 0.00 -0.22 0.00 0.00 54.13 51.87 2d8c s LEU 9 Cb -0.12 -2.00 0.17 0.00 0.50 0.00 0.00 46.19 44.74 2d8c s LEU 9 CO -0.03 -0.65 2.20 -0.24 -1.32 0.00 0.00 176.35 176.31 2d8c n SER 10 N 4.73 7.57 -2.87 3.68 2.88 -1.26 -4.64 113.62 123.72 2d8c n SER 10 Ca -0.05 -3.24 -0.20 0.00 -1.33 0.00 0.00 58.87 54.04 2d8c n SER 10 Cb 0.41 -1.34 -0.01 0.00 -0.75 0.00 0.00 64.21 62.52 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 1.62 3.61 0.39 -1.46 0.00 -1.26 -4.78 120.51 118.62 2d8c n ALA 11 Ca 0.56 -3.85 0.04 0.00 0.00 0.00 0.00 53.44 50.19 2d8c n ALA 11 Cb 0.26 -0.81 -0.04 0.00 0.00 0.00 0.00 19.45 18.87 2d8c n ALA 11 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2d8c n ARG 12 N -0.08 3.81 -3.53 0.00 3.00 -1.26 -5.03 116.66 113.56 2d8c n ARG 12 Ca 0.25 -0.13 -0.15 0.00 -0.00 0.00 0.00 57.85 57.82 2d8c n ARG 12 Cb 0.63 -0.92 -0.05 0.00 0.00 0.00 0.00 32.46 32.11 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 -1.66 0.00 -0.03 5.15 -1.32 -1.26 -5.05 115.64 111.47 2d8c s THR 13 Ca 0.04 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.57 2d8c s THR 13 Cb 0.06 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 70.12 2d8c s THR 13 CO 0.31 0.00 0.94 1.15 -2.21 0.00 0.00 174.62 174.82 2d8c n MET 14 N 0.78 0.57 0.04 7.08 0.00 -1.26 -4.76 117.12 119.57 2d8c n MET 14 Ca -0.16 -1.33 -0.04 0.00 0.00 0.00 0.00 57.70 56.18 2d8c n MET 14 Cb 0.58 -0.78 0.19 0.00 0.00 0.00 0.00 33.22 33.21 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 0.41 0.00 3.17 6.56 -1.92 -3.33 116.57 121.46 2d8c h LYS 15 Ca 0.00 -0.18 -0.20 0.00 -1.06 0.00 0.00 60.65 59.21 2d8c h LYS 15 Cb 1.15 -0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 32.77 2d8c h LYS 15 CO 0.00 0.70 -1.34 -0.85 -2.06 0.00 0.00 179.45 175.90 2d8c n GLU 16 N -4.07 0.54 -1.77 3.15 0.28 -1.26 -3.51 120.64 114.00 2d8c n GLU 16 Ca -0.01 0.46 -0.01 0.00 -0.16 0.00 0.00 57.16 57.44 2d8c n GLU 16 Cb 0.45 -1.65 -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 -4.44 -0.03 -0.02 3.84 3.14 -1.25 -4.58 118.33 114.99 2d8c n VAL 17 Ca -0.29 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.06 2d8c n VAL 17 Cb 0.61 -0.16 -0.02 0.00 -1.06 0.00 0.00 33.84 33.21 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 1.31 1.55 0.24 -1.26 -2.90 118.33 115.63 2d8c n VAL 18 Ca -0.02 -0.08 0.09 0.00 -2.04 0.00 0.00 64.34 62.29 2d8c n VAL 18 Cb 0.28 -0.67 0.33 0.00 -1.47 0.00 0.00 33.84 32.30 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 0.22 -0.40 6.34 4.01 -1.26 -1.27 117.16 122.29 2d8c n TYR 19 Ca -0.06 -0.11 -0.26 0.00 -0.16 0.00 0.00 57.90 57.31 2d8c n TYR 19 Cb 0.57 0.00 0.23 0.00 -0.31 0.00 0.00 39.34 39.83 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 0.15 -2.82 -3.82 -0.72 7.02 -1.26 -4.92 117.44 111.07 2d8c n TRP 20 Ca 0.14 -0.38 -0.22 0.00 -1.02 0.00 0.00 57.50 56.02 2d8c n TRP 20 Cb 0.26 -1.41 -0.05 0.00 -2.42 0.00 0.00 31.31 27.69 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 -2.50 4.91 0.20 -0.99 1.04 -1.26 -4.28 113.70 110.81 2d8c s SER 21 Ca 0.55 -0.76 0.21 0.00 0.48 0.00 0.00 55.95 56.43 2d8c s SER 21 Cb -0.11 -0.66 0.89 0.00 0.10 0.00 0.00 66.02 66.23 2d8c s SER 21 CO 0.50 -0.50 1.65 -0.81 0.98 0.00 0.00 173.24 175.05 2d8c n PRO 22 N -1.38 0.15 -0.01 4.02 -0.04 -1.26 -2.22 135.00 134.26 2d8c n PRO 22 Ca 0.00 0.39 0.04 0.00 -0.04 0.00 0.00 63.50 63.89 2d8c n PRO 22 Cb 0.62 -1.78 -0.13 0.00 -0.04 0.00 0.00 33.50 32.16 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 -2.06 0.65 -0.07 0.54 4.76 -1.26 -4.43 118.16 116.29 2d8c n LYS 23 Ca 0.02 -0.03 -0.11 0.00 -2.87 0.00 0.00 58.31 55.33 2d8c n LYS 23 Cb 0.21 -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 -1.53 1.97 1.63 -1.84 -3.28 116.57 113.52 2d8c h LYS 24 Ca -0.17 0.00 0.49 0.00 -0.85 0.00 0.00 60.65 60.13 2d8c h LYS 24 Cb 1.42 0.00 -0.12 0.00 -0.60 0.00 0.00 32.23 32.94 2d8c h LYS 24 CO 0.02 0.75 1.03 0.28 -3.45 0.00 0.00 179.45 178.08 2d8c n VAL 25 N -4.64 -0.17 0.20 2.00 0.31 -0.94 -0.36 118.33 114.72 2d8c n VAL 25 Ca -0.09 1.66 -0.09 0.00 -0.01 0.00 0.00 64.34 65.81 2d8c n VAL 25 Cb 0.38 -2.73 -0.04 0.00 -0.91 0.00 0.00 33.84 30.54 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 1.36 -0.59 -1.24 3.52 0.00 -1.77 -3.15 119.26 117.39 2d8c h ALA 26 Ca 0.88 -0.12 0.46 0.00 0.00 0.00 0.00 54.91 56.12 2d8c h ALA 26 Cb 3.05 0.22 -0.15 0.00 0.00 0.00 0.00 17.79 20.90 2d8c h ALA 26 CO -0.31 -0.55 0.76 -0.44 0.00 0.00 0.00 179.25 178.71 2d8c h ASP 27 N -1.09 0.25 -0.62 0.00 3.32 -0.76 1.65 116.42 119.17 2d8c h ASP 27 Ca -0.06 0.19 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 2d8c h ASP 27 Cb 0.43 0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 2d8c h ASP 27 CO 0.09 -0.32 0.09 -0.25 -1.72 0.00 0.00 179.24 177.14 2d8c h TRP 28 N 0.01 1.12 0.62 4.55 7.01 -1.46 -1.82 115.95 125.98 2d8c h TRP 28 Ca 0.87 -0.15 -0.03 0.00 2.11 0.00 0.00 58.89 61.68 2d8c h TRP 28 Cb 2.61 -0.31 0.01 0.00 -2.10 0.00 0.00 29.16 29.37 2d8c h TRP 28 CO -0.01 0.95 -0.30 -0.07 -2.79 0.00 0.00 178.44 176.22 2d8c h LEU 29 N 0.99 -0.71 -1.90 0.65 3.38 0.25 -2.93 115.31 115.03 2d8c h LEU 29 Ca 0.19 0.02 0.22 0.00 0.09 0.00 0.00 57.88 58.41 2d8c h LEU 29 Cb 0.44 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 2d8c h LEU 29 CO 0.01 -0.45 0.56 -0.07 0.09 0.00 0.00 178.44 178.58 2d8c h LEU 30 N -0.95 0.08 -2.31 1.67 -0.00 -1.50 0.38 115.31 112.69 2d8c h LEU 30 Ca -0.09 0.01 0.02 0.00 -0.00 0.00 0.00 57.88 57.82 2d8c h LEU 30 Cb 0.64 -0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 41.29 2d8c h LEU 30 CO 0.14 0.04 0.06 -0.08 -0.00 0.00 0.00 178.44 178.59 2d8c h GLU 31 N 0.09 0.00 -0.09 1.13 4.57 -1.14 -1.09 114.58 118.05 2d8c h GLU 31 Ca 0.38 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.55 2d8c h GLU 31 Cb 1.40 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.98 2d8c h GLU 31 CO -0.04 0.00 -0.05 0.09 -1.18 0.00 0.00 179.01 177.83 2d8c n ASN 32 N -3.99 2.68 -3.10 1.04 3.02 0.12 -4.98 115.26 110.05 2d8c n ASN 32 Ca -0.02 -3.19 -0.14 0.00 -0.03 0.00 0.00 54.58 51.20 2d8c n ASN 32 Cb 0.15 -0.48 0.07 0.00 -0.61 0.00 0.00 39.78 38.92 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 -1.91 -2.53 5.41 0.00 -0.41 -4.97 120.51 114.95 2d8c n ALA 33 Ca 0.19 -0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.44 2d8c n ALA 33 Cb 0.73 -3.05 0.02 0.00 0.00 0.00 0.00 19.45 17.15 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 -3.53 2.49 0.21 0.00 2.81 -0.43 -4.84 117.12 113.83 2d8c n MET 34 Ca -0.20 -3.94 0.15 0.00 -1.81 0.00 0.00 57.70 51.90 2d8c n MET 34 Cb 0.64 -1.84 0.62 0.00 -0.71 0.00 0.00 33.22 31.92 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 2.69 0.00 0.00 0.03 0.13 -1.90 -2.76 132.00 130.19 2d8c h PRO 35 Ca 0.13 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.21 2d8c h PRO 35 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 2d8c h PRO 35 CO 0.66 0.00 -0.25 1.05 -0.23 0.00 0.00 178.00 179.23 2d8c h GLU 36 N 0.00 0.00 0.00 0.86 9.09 -1.94 -2.57 114.58 120.02 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 0.43 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.53 2d8c h GLU 36 CO 0.00 0.25 -0.81 0.66 0.05 0.00 0.00 179.01 179.16 2d8c n TYR 37 N -3.56 0.04 -0.19 2.06 4.01 -1.04 -4.18 117.16 114.30 2d8c n TYR 37 Ca -0.01 0.01 -0.01 0.00 -0.16 0.00 0.00 57.90 57.73 2d8c n TYR 37 Cb 0.39 -0.18 0.22 0.00 -0.31 0.00 0.00 39.34 39.46 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 0.94 -1.13 0.00 0.00 4.39 -1.73 0.89 114.58 117.96 2d8c h GLU 39 Ca 0.24 0.08 -0.01 0.00 0.34 0.00 0.00 59.36 60.01 2d8c h GLU 39 Cb 0.05 0.26 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2d8c h GLU 39 CO -0.04 -0.75 -0.05 -1.00 -1.16 0.00 0.00 179.01 176.02 2d8c h PRO 40 N -1.17 0.00 -0.43 2.33 0.13 -1.78 -2.49 132.00 128.59 2d8c h PRO 40 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 2d8c h PRO 40 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2d8c h PRO 40 CO 0.12 0.05 0.00 1.28 -0.23 0.00 0.00 178.00 179.22 2d8c n LEU 41 N -3.17 3.42 -0.22 1.56 4.77 0.51 -4.51 117.00 119.36 2d8c n LEU 41 Ca 0.00 -1.63 0.02 0.00 -0.03 0.00 0.00 56.01 54.37 2d8c n LEU 41 Cb 0.31 -0.28 0.13 0.00 -2.33 0.00 0.00 43.42 41.25 2d8c n LEU 41 CO 0.28 0.77 0.98 1.05 -1.33 0.00 0.00 177.39 179.14 2d8c h GLU 42 N 4.03 0.37 -0.64 3.23 4.11 0.13 -0.74 114.58 125.07 2d8c h GLU 42 Ca 0.00 -0.02 -0.27 0.00 0.07 0.00 0.00 59.36 59.14 2d8c h GLU 42 Cb 0.93 -0.08 -0.16 0.00 0.50 0.00 0.00 28.75 29.93 2d8c h GLU 42 CO 0.00 0.25 0.24 -2.39 0.07 0.00 0.00 179.01 177.18 2d8c n HIS 43 N -5.03 2.04 -3.67 2.06 1.44 -1.26 -4.65 115.22 106.15 2d8c n HIS 43 Ca 0.11 -1.48 -0.34 0.00 -2.01 0.00 0.00 57.72 54.00 2d8c n HIS 43 Cb 0.33 -0.66 -0.05 0.00 0.12 0.00 0.00 29.99 29.73 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 -3.14 3.57 0.02 -1.40 0.40 -0.29 -4.97 117.98 112.17 2d8c s PHE 44 Ca 0.51 0.67 0.03 0.00 -0.60 0.00 0.00 56.93 57.54 2d8c s PHE 44 Cb 0.43 -2.07 -0.04 0.00 0.51 0.00 0.00 43.02 41.86 2d8c s PHE 44 CO 0.08 0.55 -0.05 0.95 0.70 0.00 0.00 175.22 177.45 2d8c s THR 45 N -1.38 3.76 0.22 0.64 -4.23 -1.26 -4.11 115.64 109.28 2d8c s THR 45 Ca 0.31 -0.79 0.10 0.00 -1.18 0.00 0.00 61.69 60.13 2d8c s THR 45 Cb -0.13 -2.66 0.23 0.00 1.34 0.00 0.00 72.50 71.28 2d8c s THR 45 CO 0.18 0.35 0.99 0.61 -0.54 0.00 0.00 174.62 176.21 2d8c n GLY 46 N 1.39 -0.58 0.09 3.99 0.00 -1.26 0.20 105.19 109.02 2d8c n GLY 46 Ca -0.15 0.54 -0.12 0.00 0.00 0.00 0.00 46.02 46.29 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 0.16 -0.41 1.61 5.75 -1.05 -2.31 115.11 118.85 2d8c h GLN 47 Ca 0.49 -0.05 -0.08 0.00 -0.15 0.00 0.00 58.65 58.86 2d8c h GLN 47 Cb 1.25 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.76 2d8c h GLN 47 CO -0.52 0.42 -0.09 -0.44 -2.65 0.00 0.00 178.83 175.55 2d8c h ASP 48 N -0.12 0.70 0.10 -0.69 3.32 0.20 -2.41 116.42 117.53 2d8c h ASP 48 Ca 0.03 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 2d8c h ASP 48 Cb 0.35 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 2d8c h ASP 48 CO 0.00 0.83 -0.07 0.25 -1.72 0.00 0.00 179.24 178.54 2d8c h LEU 49 N 0.66 -0.18 -1.31 1.55 6.46 -0.43 -1.66 115.31 120.40 2d8c h LEU 49 Ca 0.12 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 2d8c h LEU 49 Cb 0.54 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.53 2d8c h LEU 49 CO 0.03 -0.11 0.00 0.16 -0.62 0.00 0.00 178.44 177.90 2d8c h ILE 50 N -0.17 0.00 -0.20 4.05 3.07 -1.34 -2.11 117.51 120.81 2d8c h ILE 50 Ca -0.01 -0.26 0.00 0.00 1.55 0.00 0.00 64.86 66.14 2d8c h ILE 50 Cb 0.15 1.07 0.00 0.00 -0.27 0.00 0.00 36.82 37.77 2d8c h ILE 50 CO 0.00 0.00 0.00 0.59 -1.05 0.00 0.00 178.15 177.69 2d8c n ASN 51 N -2.61 2.05 -4.78 2.16 3.02 -0.63 -4.87 115.26 109.61 2d8c n ASN 51 Ca 0.01 -2.19 -0.39 0.00 -0.03 0.00 0.00 54.58 51.98 2d8c n ASN 51 Cb 0.21 -0.41 -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 -0.92 4.46 0.19 3.41 1.43 -0.79 -5.04 118.68 121.42 2d8c s LEU 52 Ca 0.17 1.22 0.01 0.00 -1.03 0.00 0.00 54.13 54.49 2d8c s LEU 52 Cb 0.11 -2.93 -0.05 0.00 0.03 0.00 0.00 46.19 43.36 2d8c s LEU 52 CO 0.07 0.17 0.05 0.42 0.23 0.00 0.00 176.35 177.29 2d8c s THR 53 N -0.56 0.50 0.37 5.49 -4.23 -1.26 -5.00 115.64 110.95 2d8c s THR 53 Ca 0.30 -1.98 0.12 0.00 -1.18 0.00 0.00 61.69 58.96 2d8c s THR 53 Cb -0.19 -2.30 0.34 0.00 1.34 0.00 0.00 72.50 71.70 2d8c s THR 53 CO 0.18 -0.29 1.84 -0.61 -0.54 0.00 0.00 174.62 175.20 2d8c h GLN 54 N 2.62 0.57 0.00 3.99 4.15 -1.96 0.35 115.11 124.83 2d8c h GLN 54 Ca -0.37 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 58.98 2d8c h GLN 54 Cb 1.22 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.78 2d8c h GLN 54 CO 0.61 0.38 -0.18 1.05 -1.93 0.00 0.00 178.83 178.75 2d8c h GLU 55 N 0.59 0.00 0.00 1.69 4.11 -2.00 -1.58 114.58 117.39 2d8c h GLU 55 Ca 0.49 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.91 2d8c h GLU 55 Cb 0.95 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 2d8c h GLU 55 CO -0.23 0.18 -0.03 -0.44 0.07 0.00 0.00 179.01 178.56 2d8c h ASP 56 N 0.00 0.00 0.22 3.06 5.19 -0.62 -3.06 116.42 121.20 2d8c h ASP 56 Ca -0.00 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.09 2d8c h ASP 56 Cb 0.39 0.00 0.03 0.00 0.18 0.00 0.00 39.33 39.93 2d8c h ASP 56 CO 0.02 0.03 -1.35 -0.26 -3.12 0.00 0.00 179.24 174.56 2d8c h PHE 57 N 0.00 0.98 -0.26 4.55 -1.00 -1.19 -3.23 116.94 116.78 2d8c h PHE 57 Ca -0.00 -0.66 0.08 0.00 2.81 0.00 0.00 57.97 60.19 2d8c h PHE 57 Cb 0.61 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 40.10 2d8c h PHE 57 CO 0.00 1.50 0.38 0.87 -1.61 0.00 0.00 178.31 179.45 2d8c h LYS 58 N 0.21 0.00 -5.60 1.51 1.57 -1.48 -3.32 116.57 109.47 2d8c h LYS 58 Ca -0.22 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.07 2d8c h LYS 58 Cb 2.04 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 34.21 2d8c h LYS 58 CO 0.25 0.00 -0.70 -1.59 -0.57 0.00 0.00 179.45 176.84 2d8c s LYS 59 N -4.47 1.49 0.91 3.15 -2.85 -1.22 -4.98 119.74 111.77 2d8c s LYS 59 Ca -0.04 -1.72 -0.12 0.00 -1.00 0.00 0.00 55.97 53.10 2d8c s LYS 59 Cb 0.13 -1.21 0.14 0.00 -2.06 0.00 0.00 37.83 34.83 2d8c s LYS 59 CO 0.47 0.12 1.09 -1.25 0.10 0.00 0.00 175.35 175.88 2d8c s PRO 60 N -3.68 1.16 0.25 1.78 0.04 -1.26 -3.54 135.00 129.75 2d8c s PRO 60 Ca 0.27 0.77 0.03 0.00 0.04 0.00 0.00 61.00 62.11 2d8c s PRO 60 Cb 0.01 -1.80 0.31 0.00 0.04 0.00 0.00 34.50 33.07 2d8c s PRO 60 CO 0.10 -2.30 1.63 -1.00 0.04 0.00 0.00 177.00 175.47 2d8c h PRO 61 N -1.59 0.38 -5.88 0.56 0.13 -1.94 -3.48 132.00 120.17 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 1.44 -0.51 -0.23 0.00 0.00 178.00 180.00 2d8c s LEU 62 N -8.30 3.34 -0.16 1.56 1.43 -1.23 -4.91 118.68 110.41 2d8c s LEU 62 Ca -0.06 0.65 -0.08 0.00 -1.03 0.00 0.00 54.13 53.61 2d8c s LEU 62 Cb 0.13 -2.60 0.06 0.00 0.03 0.00 0.00 46.19 43.80 2d8c s LEU 62 CO 0.80 -2.49 0.38 -0.47 0.23 0.00 0.00 176.35 174.80 2d8c s TYR 63 N 9.91 -0.55 -0.62 0.29 5.04 -1.25 -3.92 117.35 126.25 2d8c s TYR 63 Ca 0.78 1.19 0.00 0.00 -2.44 0.00 0.00 57.07 56.60 2d8c s TYR 63 Cb -0.15 0.23 0.00 0.00 0.35 0.00 0.00 41.96 42.39 2d8c s TYR 63 CO 0.23 -0.32 0.00 0.54 -1.34 0.00 0.00 175.55 174.66 2d8c n ARG 64 N 4.26 -1.87 -0.03 4.97 5.12 -1.26 -4.76 116.66 123.09 2d8c n ARG 64 Ca -0.24 0.35 0.01 0.00 -1.93 0.00 0.00 57.85 56.04 2d8c n ARG 64 Cb 0.55 -4.69 0.33 0.00 -1.16 0.00 0.00 32.46 27.49 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 1.17 -4.96 1.55 2.07 -1.92 -3.45 116.25 110.71 2d8c h VAL 65 Ca -0.14 -0.56 -0.60 0.00 0.82 0.00 0.00 66.70 66.21 2d8c h VAL 65 Cb 0.77 0.72 -0.12 0.00 -1.52 0.00 0.00 31.29 31.14 2d8c h VAL 65 CO 0.19 0.21 -0.45 -0.24 0.02 0.00 0.00 177.57 177.30 2d8c n SER 66 N -4.35 2.86 -0.03 0.57 2.88 -1.26 -4.98 113.62 109.30 2d8c n SER 66 Ca 0.03 -3.08 0.05 0.00 -1.33 0.00 0.00 58.87 54.54 2d8c n SER 66 Cb 0.17 0.48 -0.15 0.00 -0.75 0.00 0.00 64.21 63.96 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 -1.35 0.64 -1.71 -3.46 2.88 -1.26 -4.37 113.62 105.00 2d8c n SER 67 Ca -0.17 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.24 2d8c n SER 67 Cb 0.60 1.63 0.07 0.00 -0.75 0.00 0.00 64.21 65.76 2d8c n SER 67 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2d8c n ASP 68 N -2.29 4.35 -3.52 -3.46 5.68 -1.26 -4.82 116.55 111.24 2d8c n ASP 68 Ca -0.10 -2.90 -0.20 0.00 -0.50 0.00 0.00 54.79 51.09 2d8c n ASP 68 Cb 0.65 -0.79 0.08 0.00 -1.14 0.00 0.00 41.12 39.92 2d8c n ASP 68 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2d8c n ASN 69 N -0.14 -3.65 -4.04 -1.12 4.13 -1.26 -2.30 115.26 106.89 2d8c n ASN 69 Ca 0.31 -0.61 -0.32 0.00 1.68 0.00 0.00 54.58 55.64 2d8c n ASN 69 Cb 0.93 -5.00 -0.00 0.00 -1.54 0.00 0.00 39.78 34.17 2d8c n ASN 69 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2d8c n GLY 70 N -1.49 -0.43 0.08 7.41 0.00 -1.26 -4.89 105.19 104.62 2d8c n GLY 70 Ca -0.17 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 2d8c n GLY 70 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2d8c h GLN 71 N -1.80 0.00 -0.76 1.61 4.15 -1.87 -3.24 115.11 113.20 2d8c h GLN 71 Ca -0.59 0.00 0.27 0.00 0.77 0.00 0.00 58.65 59.10 2d8c h GLN 71 Cb 1.38 0.00 -0.14 0.00 0.21 0.00 0.00 27.48 28.93 2d8c h GLN 71 CO 0.71 0.44 0.25 -2.13 -1.93 0.00 0.00 178.83 176.17 2d8c n ARG 72 N -4.55 -0.05 -0.02 1.69 0.63 -1.26 0.88 116.66 113.98 2d8c n ARG 72 Ca -0.17 1.08 -0.13 0.00 -0.92 0.00 0.00 57.85 57.71 2d8c n ARG 72 Cb 0.43 -1.85 -0.10 0.00 0.45 0.00 0.00 32.46 31.39 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 -0.04 -0.84 6.15 5.85 -1.98 -2.40 115.31 122.06 2d8c h LEU 73 Ca 0.57 -0.62 0.15 0.00 0.84 0.00 0.00 57.88 58.82 2d8c h LEU 73 Cb 1.40 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 42.34 2d8c h LEU 73 CO -0.64 0.63 0.42 -0.07 -0.34 0.00 0.00 178.44 178.44 2d8c h LEU 74 N -0.73 0.48 -0.43 2.25 3.38 0.47 0.97 115.31 121.70 2d8c h LEU 74 Ca -0.00 0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 2d8c h LEU 74 Cb 0.65 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2d8c h LEU 74 CO 0.01 0.19 -0.13 -0.78 0.09 0.00 0.00 178.44 177.82 2d8c h ASP 75 N 0.58 0.86 -0.21 -0.43 3.58 -0.68 0.27 116.42 120.39 2d8c h ASP 75 Ca 0.46 -0.37 -0.04 0.00 0.42 0.00 0.00 57.03 57.50 2d8c h ASP 75 Cb 0.68 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 2d8c h ASP 75 CO -0.38 1.04 0.02 0.24 -2.88 0.00 0.00 179.24 177.28 2d8c h MET 76 N 0.68 0.47 0.11 0.28 2.86 -0.58 -3.07 114.93 115.68 2d8c h MET 76 Ca 0.11 -0.09 -0.20 0.00 -2.06 0.00 0.00 59.70 57.46 2d8c h MET 76 Cb 0.67 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 32.27 2d8c h MET 76 CO 0.05 0.48 -0.93 0.82 1.06 0.00 0.00 176.91 178.39 2d8c h ILE 77 N 0.46 1.37 -0.81 -1.22 2.04 -0.69 -3.33 117.51 115.33 2d8c h ILE 77 Ca 0.10 -2.46 0.23 0.00 1.00 0.00 0.00 64.86 63.73 2d8c h ILE 77 Cb 0.26 3.04 -0.15 0.00 -0.74 0.00 0.00 36.82 39.23 2d8c h ILE 77 CO 0.00 0.68 0.03 1.21 0.00 0.00 0.00 178.15 180.08 2d8c n GLU 78 N -4.13 -0.06 -0.22 2.37 2.13 0.93 0.23 120.64 121.89 2d8c n GLU 78 Ca -0.18 1.21 -0.09 0.00 0.66 0.00 0.00 57.16 58.77 2d8c n GLU 78 Cb 0.81 -1.94 0.03 0.00 0.27 0.00 0.00 31.44 30.60 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 1.27 -0.51 6.31 1.03 -1.69 -1.99 112.91 117.33 2d8c h THR 79 Ca 0.50 -1.11 0.15 0.00 -0.01 0.00 0.00 66.41 65.94 2d8c h THR 79 Cb 1.05 0.76 -0.02 0.00 -1.07 0.00 0.00 68.15 68.87 2d8c h THR 79 CO -0.76 0.41 0.46 -0.07 -0.01 0.00 0.00 175.52 175.55 2d8c h LEU 80 N 0.97 0.00 0.00 0.00 3.38 0.27 -2.22 115.31 117.72 2d8c h LEU 80 Ca 0.18 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 2d8c h LEU 80 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 2d8c h LEU 80 CO 0.03 0.00 -0.54 0.11 0.09 0.00 0.00 178.44 178.13 2d8c h LYS 81 N 0.00 0.00 -1.57 1.13 6.56 -1.04 -3.23 116.57 118.42 2d8c h LYS 81 Ca 0.24 0.00 0.50 0.00 -1.06 0.00 0.00 60.65 60.33 2d8c h LYS 81 Cb 1.16 0.00 -0.11 0.00 -0.57 0.00 0.00 32.23 32.71 2d8c h LYS 81 CO -0.00 0.13 1.08 0.00 -2.06 0.00 0.00 179.45 178.59 2d8c n MET 82 N -4.61 -0.02 0.13 3.15 0.00 -0.79 0.23 117.12 115.21 2d8c n MET 82 Ca -0.09 1.11 -0.24 0.00 0.00 0.00 0.00 57.70 58.48 2d8c n MET 82 Cb 0.29 -2.35 -0.15 0.00 0.00 0.00 0.00 33.22 31.01 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 0.56 -7.21 3.17 5.08 -1.57 -3.46 114.58 111.15 2d8c h GLU 83 Ca 0.86 -0.88 -0.45 0.00 -1.00 0.00 0.00 59.36 57.89 2d8c h GLU 83 Cb 3.10 0.32 0.20 0.00 0.50 0.00 0.00 28.75 32.86 2d8c h GLU 83 CO -0.24 1.41 0.07 -1.58 -1.00 0.00 0.00 179.01 177.68 2d8c s HIS 84 N -2.73 1.59 -1.11 4.33 2.46 0.62 -4.86 115.29 115.59 2d8c s HIS 84 Ca -0.09 1.15 -0.08 0.00 0.47 0.00 0.00 55.06 56.52 2d8c s HIS 84 Cb 0.05 -3.15 -0.10 0.00 -0.13 0.00 0.00 32.58 29.24 2d8c s HIS 84 CO 0.94 -3.54 3.05 0.72 -2.47 0.00 0.00 174.74 173.44 2d8c n HIS 85 N -4.67 1.78 -3.85 3.88 8.25 -1.26 -4.72 115.22 114.62 2d8c n HIS 85 Ca 0.04 -2.60 -0.12 0.00 -0.26 0.00 0.00 57.72 54.79 2d8c n HIS 85 Cb 0.55 -2.13 -0.11 0.00 1.12 0.00 0.00 29.99 29.42 2d8c n HIS 85 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2d8c s MET 86 N 1.24 0.37 -1.10 -0.41 0.23 -1.26 -4.88 119.30 113.49 2d8c s MET 86 Ca 0.67 -0.18 -0.12 0.00 -1.03 0.00 0.00 55.69 55.03 2d8c s MET 86 Cb 0.23 0.16 0.12 0.00 -1.53 0.00 0.00 34.83 33.80 2d8c s MET 86 CO -0.06 -0.08 0.30 -0.85 -2.03 0.00 0.00 175.02 172.30 2d8c n GLU 87 N 2.03 -0.85 -0.03 3.16 0.00 -1.26 -4.66 120.64 119.04 2d8c n GLU 87 Ca -0.19 0.08 -0.07 0.00 0.00 0.00 0.00 57.16 56.98 2d8c n GLU 87 Cb 0.57 -2.71 -0.02 0.00 0.00 0.00 0.00 31.44 29.28 2d8c n GLU 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2d8c n ALA 88 N -2.71 2.50 -0.25 -1.84 0.00 -1.26 -4.57 120.51 112.38 2d8c n ALA 88 Ca 0.03 -0.28 0.05 0.00 0.00 0.00 0.00 53.44 53.24 2d8c n ALA 88 Cb 0.29 0.35 0.18 0.00 0.00 0.00 0.00 19.45 20.28 2d8c n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2d8c h HIS 89 N -0.27 0.46 0.02 0.00 3.86 -1.94 -2.09 115.15 115.19 2d8c h HIS 89 Ca -0.14 0.04 0.03 0.00 -1.16 0.00 0.00 60.37 59.13 2d8c h HIS 89 Cb 0.95 -0.09 -0.05 0.00 1.06 0.00 0.00 27.41 29.28 2d8c h HIS 89 CO -0.04 0.04 -0.38 -0.22 0.86 0.00 0.00 177.93 178.18 2d8c h LYS 90 N 0.40 -0.53 -4.74 2.45 1.63 -1.95 -3.42 116.57 110.42 2d8c h LYS 90 Ca 0.40 0.04 -0.44 0.00 -0.85 0.00 0.00 60.65 59.80 2d8c h LYS 90 Cb 0.62 0.12 -0.30 0.00 -0.60 0.00 0.00 32.23 32.07 2d8c h LYS 90 CO -0.41 -0.35 -0.79 1.21 -3.45 0.00 0.00 179.45 175.65 2d8c s ASN 91 N -4.80 1.33 -0.02 4.20 3.84 -0.79 -5.14 114.94 113.57 2d8c s ASN 91 Ca -0.16 -0.21 -0.00 0.00 0.21 0.00 0.00 52.86 52.70 2d8c s ASN 91 Cb 0.08 -0.32 0.02 0.00 -0.55 0.00 0.00 41.25 40.49 2d8c s ASN 91 CO 0.64 0.09 0.03 -0.94 -2.79 0.00 0.00 177.10 174.13 2d8c s SER 92 N 0.09 0.05 0.00 -4.21 1.04 -1.24 -4.48 113.70 104.95 2d8c s SER 92 Ca -0.02 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.46 2d8c s SER 92 Cb -0.08 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.99 2d8c s SER 92 CO 0.00 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.73 2d8c n GLY 93 N 3.97 1.32 3.75 7.32 0.00 -1.26 -4.95 105.19 115.34 2d8c n GLY 93 Ca -0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 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 0.10 4.42 -0.51 1.61 0.04 -1.26 -4.96 135.00 134.44 2d8c s PRO 94 Ca 0.00 2.05 0.03 0.00 0.04 0.00 0.00 61.00 63.12 2d8c s PRO 94 Cb 0.00 -3.17 0.44 0.00 0.04 0.00 0.00 34.50 31.81 2d8c s PRO 94 CO 0.00 -0.17 1.56 0.43 0.04 0.00 0.00 177.00 178.86 2d8c n SER 95 N 2.01 6.14 -4.45 6.66 7.64 -1.26 -4.93 113.62 125.43 2d8c n SER 95 Ca 0.04 -3.77 -0.44 0.00 1.01 0.00 0.00 58.87 55.71 2d8c n SER 95 Cb 0.43 -0.66 -0.01 0.00 -1.01 0.00 0.00 64.21 62.96 2d8c n SER 95 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2d8c s SER 96 N -2.68 6.90 0.00 6.43 0.15 -1.26 -5.31 113.70 117.93 2d8c s SER 96 Ca 0.55 -2.64 0.02 0.00 0.70 0.00 0.00 55.95 54.58 2d8c s SER 96 Cb 0.44 -2.39 0.01 0.00 -1.71 0.00 0.00 66.02 62.37 2d8c s SER 96 CO -0.08 -0.86 0.55 0.61 1.20 0.00 0.00 173.24 174.67