#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 5.51 -0.01 1.61 0.01 -1.26 -5.06 113.70 114.50 2d8c s SER 2 Ca 0.00 -0.82 -0.24 0.00 1.31 0.00 0.00 55.95 56.21 2d8c s SER 2 Cb 0.00 -1.97 0.05 0.00 0.21 0.00 0.00 66.02 64.31 2d8c s SER 2 CO 0.00 -0.28 0.53 -0.55 0.41 0.00 0.00 173.24 173.35 2d8c s SER 3 N 1.54 -0.47 0.00 2.44 0.15 -1.26 -5.11 113.70 111.00 2d8c s SER 3 Ca 0.02 0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.05 2d8c s SER 3 Cb -0.18 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 2d8c s SER 3 CO 0.05 -0.61 0.00 0.61 1.20 0.00 0.00 173.24 174.50 2d8c n GLY 4 N 0.83 0.58 2.97 9.45 0.00 -1.26 -4.95 105.19 112.81 2d8c n GLY 4 Ca -0.19 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.77 2d8c n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2d8c n SER 5 N 0.00 5.62 -4.57 1.61 2.88 -1.26 -4.98 113.62 112.92 2d8c n SER 5 Ca 0.00 -3.33 -0.29 0.00 -1.33 0.00 0.00 58.87 53.91 2d8c n SER 5 Cb 0.00 -1.16 -0.05 0.00 -0.75 0.00 0.00 64.21 62.25 2d8c n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2d8c s SER 6 N -1.26 5.30 0.00 -3.46 0.15 -1.26 -4.80 113.70 108.37 2d8c s SER 6 Ca 0.32 -1.22 0.00 0.00 0.70 0.00 0.00 55.95 55.75 2d8c s SER 6 Cb 0.03 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2d8c s SER 6 CO 0.03 -2.69 0.00 0.61 1.20 0.00 0.00 173.24 172.39 2d8c n GLY 7 N 6.37 0.79 3.17 9.45 0.00 -1.26 -5.02 105.19 118.68 2d8c n GLY 7 Ca 0.42 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.12 2d8c n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2d8c s MET 8 N 0.41 2.95 -0.29 1.61 1.00 -1.26 -5.11 119.30 118.62 2d8c s MET 8 Ca 0.00 -0.83 -0.06 0.00 0.00 0.00 0.00 55.69 54.79 2d8c s MET 8 Cb 0.00 -2.37 0.01 0.00 0.00 0.00 0.00 34.83 32.47 2d8c s MET 8 CO 0.00 0.01 0.07 -0.51 0.00 0.00 0.00 175.02 174.59 2d8c s LEU 9 N 0.77 3.80 0.27 -0.03 2.01 -1.26 -4.98 118.68 119.25 2d8c s LEU 9 Ca -0.09 -0.72 0.09 0.00 0.01 0.00 0.00 54.13 53.43 2d8c s LEU 9 Cb -0.16 -1.86 0.83 0.00 0.01 0.00 0.00 46.19 45.00 2d8c s LEU 9 CO -0.00 -0.19 1.24 -1.54 1.01 0.00 0.00 176.35 176.87 2d8c n SER 10 N 4.85 0.08 -4.55 2.29 3.41 -1.26 -3.52 113.62 114.92 2d8c n SER 10 Ca -0.15 1.33 -0.41 0.00 -0.26 0.00 0.00 58.87 59.38 2d8c n SER 10 Cb 0.48 -0.56 -0.03 0.00 -0.26 0.00 0.00 64.21 63.84 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 -5.47 2.71 0.67 7.33 0.00 -1.26 -4.99 121.76 120.74 2d8c s ALA 11 Ca -0.09 -1.25 -0.17 0.00 0.00 0.00 0.00 51.96 50.45 2d8c s ALA 11 Cb 0.25 -4.25 0.00 0.00 0.00 0.00 0.00 23.12 19.13 2d8c s ALA 11 CO 0.62 -3.30 1.25 0.50 0.00 0.00 0.00 175.76 174.83 2d8c s ARG 12 N 5.80 2.47 0.08 0.00 6.06 -1.23 -4.86 118.95 127.28 2d8c s ARG 12 Ca 0.39 1.92 -0.37 0.00 -2.50 0.00 0.00 55.73 55.17 2d8c s ARG 12 Cb -0.08 -1.85 -0.17 0.00 0.06 0.00 0.00 34.95 32.90 2d8c s ARG 12 CO 0.16 -1.62 1.33 -2.37 -2.50 0.00 0.00 175.30 170.30 2d8c n THR 13 N -2.14 0.01 0.76 4.11 5.66 -1.26 -4.86 114.28 116.56 2d8c n THR 13 Ca 0.15 -0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.26 2d8c n THR 13 Cb 0.49 -0.78 0.18 0.00 -1.55 0.00 0.00 70.33 68.66 2d8c n THR 13 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 175.07 172.82 2d8c n MET 14 N 2.47 2.36 -0.11 1.09 1.56 -1.26 -4.30 117.12 118.92 2d8c n MET 14 Ca 0.18 -2.00 0.26 0.00 -0.27 0.00 0.00 57.70 55.87 2d8c n MET 14 Cb 0.19 -1.48 0.72 0.00 2.15 0.00 0.00 33.22 34.79 2d8c n MET 14 CO 0.00 0.00 0.00 0.87 -0.73 0.00 0.00 175.97 176.11 2d8c h LYS 15 N 4.44 0.00 0.00 2.12 1.57 -1.90 -3.14 116.57 119.65 2d8c h LYS 15 Ca 0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 2d8c h LYS 15 Cb 0.96 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 2d8c h LYS 15 CO 0.00 0.00 -1.64 -0.85 -0.57 0.00 0.00 179.45 176.39 2d8c n GLU 16 N -4.18 0.28 -1.66 3.15 0.28 -1.26 -4.15 120.64 113.11 2d8c n GLU 16 Ca 0.16 0.12 0.00 0.00 -0.16 0.00 0.00 57.16 57.28 2d8c n GLU 16 Cb 0.87 -0.98 0.00 0.00 1.43 0.00 0.00 31.44 32.76 2d8c n GLU 16 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 2d8c n VAL 17 N -3.64 0.00 -0.02 3.84 3.14 -1.19 -4.55 118.33 115.92 2d8c n VAL 17 Ca -0.25 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.10 2d8c n VAL 17 Cb 0.65 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.41 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 -1.64 0.27 1.64 1.55 0.24 -1.26 -3.28 118.33 115.85 2d8c n VAL 18 Ca 0.00 -0.11 0.06 0.00 -2.04 0.00 0.00 64.34 62.25 2d8c n VAL 18 Cb 0.23 -0.68 0.28 0.00 -1.47 0.00 0.00 33.84 32.21 2d8c n VAL 18 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2d8c n TYR 19 N -2.62 0.13 -0.71 6.34 4.01 -1.26 0.01 117.16 123.06 2d8c n TYR 19 Ca -0.08 -0.06 -0.33 0.00 -0.16 0.00 0.00 57.90 57.26 2d8c n TYR 19 Cb 0.59 0.00 0.16 0.00 -0.31 0.00 0.00 39.34 39.78 2d8c n TYR 19 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2d8c n TRP 20 N -0.24 -1.45 -3.22 -0.72 7.02 -1.26 -4.89 117.44 112.67 2d8c n TRP 20 Ca 0.10 0.18 -0.19 0.00 -1.02 0.00 0.00 57.50 56.57 2d8c n TRP 20 Cb 0.14 -1.56 0.00 0.00 -2.42 0.00 0.00 31.31 27.47 2d8c n TRP 20 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 2d8c s SER 21 N -1.78 5.82 0.26 -0.99 0.01 -1.26 -4.20 113.70 111.54 2d8c s SER 21 Ca 0.54 -0.19 0.23 0.00 1.31 0.00 0.00 55.95 57.85 2d8c s SER 21 Cb -0.11 -1.07 0.98 0.00 0.21 0.00 0.00 66.02 66.03 2d8c s SER 21 CO 0.66 -0.61 1.71 -0.81 0.41 0.00 0.00 173.24 174.60 2d8c n PRO 22 N -1.80 0.19 0.02 12.44 -0.04 -1.26 -2.33 135.00 142.23 2d8c n PRO 22 Ca 0.03 0.43 0.10 0.00 -0.04 0.00 0.00 63.50 64.02 2d8c n PRO 22 Cb 0.58 -1.87 -0.12 0.00 -0.04 0.00 0.00 33.50 32.06 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 -2.24 0.64 -0.06 0.54 4.76 -1.26 -4.39 118.16 116.15 2d8c n LYS 23 Ca 0.02 -0.08 -0.09 0.00 -2.87 0.00 0.00 58.31 55.30 2d8c n LYS 23 Cb 0.22 -1.62 -0.07 0.00 -1.84 0.00 0.00 35.03 31.72 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 -1.36 1.97 1.63 -1.82 -3.28 116.57 113.71 2d8c h LYS 24 Ca -0.03 0.00 0.48 0.00 -0.85 0.00 0.00 60.65 60.25 2d8c h LYS 24 Cb 1.07 0.00 -0.14 0.00 -0.60 0.00 0.00 32.23 32.56 2d8c h LYS 24 CO 0.00 0.54 0.87 0.28 -3.45 0.00 0.00 179.45 177.69 2d8c n VAL 25 N -4.66 -0.26 0.24 2.00 0.31 -1.01 -0.19 118.33 114.76 2d8c n VAL 25 Ca -0.08 1.83 -0.13 0.00 -0.01 0.00 0.00 64.34 65.95 2d8c n VAL 25 Cb 0.29 -3.00 -0.07 0.00 -0.91 0.00 0.00 33.84 30.16 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 1.63 -0.65 -1.09 3.52 0.00 -1.77 -3.07 119.26 117.83 2d8c h ALA 26 Ca 0.88 -0.19 0.31 0.00 0.00 0.00 0.00 54.91 55.92 2d8c h ALA 26 Cb 2.82 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 20.74 2d8c h ALA 26 CO -0.49 -0.67 0.68 -0.44 0.00 0.00 0.00 179.25 178.33 2d8c h ASP 27 N -1.04 0.44 0.10 0.00 5.19 -0.63 0.99 116.42 121.46 2d8c h ASP 27 Ca -0.07 0.12 -0.05 0.00 -0.62 0.00 0.00 57.03 56.42 2d8c h ASP 27 Cb 0.59 0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.15 2d8c h ASP 27 CO 0.11 -0.01 -0.16 -0.25 -3.12 0.00 0.00 179.24 175.81 2d8c h TRP 28 N 0.33 0.14 -0.03 4.55 7.01 -1.31 0.12 115.95 126.75 2d8c h TRP 28 Ca 0.67 -0.01 -0.06 0.00 2.11 0.00 0.00 58.89 61.60 2d8c h TRP 28 Cb 1.74 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 28.77 2d8c h TRP 28 CO -0.00 0.29 -0.21 -0.07 -2.79 0.00 0.00 178.44 175.65 2d8c h LEU 29 N 0.12 0.24 -1.03 0.65 3.38 0.11 -3.26 115.31 115.52 2d8c h LEU 29 Ca 0.02 -0.69 -0.10 0.00 0.09 0.00 0.00 57.88 57.20 2d8c h LEU 29 Cb 0.36 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2d8c h LEU 29 CO 0.02 0.89 -0.39 -0.07 0.09 0.00 0.00 178.44 178.99 2d8c h LEU 30 N -0.40 0.19 -2.60 1.67 3.38 -1.22 0.88 115.31 117.19 2d8c h LEU 30 Ca -0.02 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2d8c h LEU 30 Cb 0.90 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2d8c h LEU 30 CO 0.04 0.57 0.05 -0.08 0.09 0.00 0.00 178.44 179.10 2d8c h GLU 31 N 0.15 0.00 0.00 1.13 4.57 -0.81 -0.29 114.58 119.33 2d8c h GLU 31 Ca 0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2d8c h GLU 31 Cb 0.76 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 2d8c h GLU 31 CO 0.06 0.00 -0.06 0.09 -1.18 0.00 0.00 179.01 177.91 2d8c n ASN 32 N -2.91 1.99 -3.03 1.04 3.02 -0.95 -4.99 115.26 109.42 2d8c n ASN 32 Ca -0.03 -2.84 -0.14 0.00 -0.03 0.00 0.00 54.58 51.54 2d8c n ASN 32 Cb 0.11 -0.36 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 -1.80 -2.49 5.41 0.00 -0.12 -4.96 120.51 115.37 2d8c n ALA 33 Ca 0.13 -0.02 -0.19 0.00 0.00 0.00 0.00 53.44 53.36 2d8c n ALA 33 Cb 0.62 -2.71 0.02 0.00 0.00 0.00 0.00 19.45 17.37 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 -3.50 2.64 0.08 0.00 2.81 0.30 -4.84 117.12 114.62 2d8c n MET 34 Ca -0.21 -4.00 0.10 0.00 -1.81 0.00 0.00 57.70 51.78 2d8c n MET 34 Cb 0.63 -1.90 0.43 0.00 -0.71 0.00 0.00 33.22 31.67 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 -0.41 0.13 0.17 0.03 -0.04 -1.26 -2.49 135.00 131.13 2d8c n PRO 35 Ca 0.28 0.37 0.03 0.00 -0.04 0.00 0.00 63.50 64.14 2d8c n PRO 35 Cb 0.77 -1.74 0.27 0.00 -0.04 0.00 0.00 33.50 32.75 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 -2.91 114.58 119.36 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 0.32 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.42 2d8c h GLU 36 CO 0.00 0.46 -0.64 0.66 0.05 0.00 0.00 179.01 179.53 2d8c n TYR 37 N -3.58 0.04 -0.25 2.06 4.01 -1.04 -4.17 117.16 114.24 2d8c n TYR 37 Ca -0.00 0.01 -0.03 0.00 -0.16 0.00 0.00 57.90 57.72 2d8c n TYR 37 Cb 0.56 -0.23 0.09 0.00 -0.31 0.00 0.00 39.34 39.45 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 0.83 -0.82 0.00 0.00 5.08 -1.72 1.39 114.58 119.34 2d8c h GLU 39 Ca 0.29 0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.70 2d8c h GLU 39 Cb 0.06 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 2d8c h GLU 39 CO -0.13 -0.54 -0.01 -1.00 -1.00 0.00 0.00 179.01 176.33 2d8c h PRO 40 N -0.85 0.00 -0.32 2.33 0.13 -1.77 -2.67 132.00 128.85 2d8c h PRO 40 Ca -0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 2d8c h PRO 40 Cb 0.80 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 2d8c h PRO 40 CO -0.20 0.01 0.00 1.28 -0.23 0.00 0.00 178.00 178.86 2d8c n LEU 41 N -3.11 4.22 0.05 1.56 4.77 0.95 -4.65 117.00 120.79 2d8c n LEU 41 Ca 0.00 -3.02 -0.12 0.00 -0.03 0.00 0.00 56.01 52.84 2d8c n LEU 41 Cb 0.30 -0.57 -0.07 0.00 -2.33 0.00 0.00 43.42 40.75 2d8c n LEU 41 CO 0.27 0.68 0.85 1.05 -1.33 0.00 0.00 177.39 178.91 2d8c h GLU 42 N 2.15 -0.05 -0.83 3.23 4.11 0.22 -2.82 114.58 120.60 2d8c h GLU 42 Ca 0.01 0.00 -0.47 0.00 0.07 0.00 0.00 59.36 58.97 2d8c h GLU 42 Cb 1.55 0.01 -0.26 0.00 0.50 0.00 0.00 28.75 30.55 2d8c h GLU 42 CO 0.28 -0.03 0.44 0.72 0.07 0.00 0.00 179.01 180.49 2d8c n HIS 43 N -5.12 2.61 -3.71 2.06 8.25 -1.26 -4.72 115.22 113.32 2d8c n HIS 43 Ca -0.07 -2.05 -0.37 0.00 -0.26 0.00 0.00 57.72 54.97 2d8c n HIS 43 Cb 0.06 -0.91 -0.06 0.00 1.12 0.00 0.00 29.99 30.20 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 -3.41 3.65 0.05 4.41 0.40 -1.06 -4.97 117.98 117.05 2d8c s PHE 44 Ca 0.55 0.72 0.04 0.00 -0.60 0.00 0.00 56.93 57.64 2d8c s PHE 44 Cb 0.46 -2.08 -0.04 0.00 0.51 0.00 0.00 43.02 41.88 2d8c s PHE 44 CO 0.05 0.68 -0.02 0.95 0.70 0.00 0.00 175.22 177.59 2d8c s THR 45 N -1.10 3.93 0.28 0.64 -4.23 -1.26 -4.38 115.64 109.53 2d8c s THR 45 Ca 0.20 -0.87 0.20 0.00 -1.18 0.00 0.00 61.69 60.05 2d8c s THR 45 Cb -0.14 -2.81 0.32 0.00 1.34 0.00 0.00 72.50 71.20 2d8c s THR 45 CO 0.10 0.24 1.00 0.61 -0.54 0.00 0.00 174.62 176.02 2d8c n GLY 46 N 0.97 -0.53 0.14 3.99 0.00 -1.24 0.15 105.19 108.67 2d8c n GLY 46 Ca -0.13 0.49 -0.12 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.23 -0.31 1.61 5.75 -0.40 -2.33 115.11 119.20 2d8c h GLN 47 Ca 0.56 0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 59.01 2d8c h GLN 47 Cb 1.79 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 30.38 2d8c h GLN 47 CO -0.31 0.16 -0.10 -0.44 -2.65 0.00 0.00 178.83 175.49 2d8c h ASP 48 N -0.71 0.49 0.34 -0.69 3.32 0.11 -2.37 116.42 116.92 2d8c h ASP 48 Ca -0.02 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 2d8c h ASP 48 Cb 0.50 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.92 2d8c h ASP 48 CO 0.04 0.63 -0.16 0.25 -1.72 0.00 0.00 179.24 178.28 2d8c h LEU 49 N 0.48 -0.38 -2.14 1.55 6.46 -0.55 -2.23 115.31 118.49 2d8c h LEU 49 Ca 0.09 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.83 2d8c h LEU 49 Cb 0.47 0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.49 2d8c h LEU 49 CO 0.03 -0.23 0.00 0.16 -0.62 0.00 0.00 178.44 177.78 2d8c h ILE 50 N -0.51 0.00 -0.15 4.05 3.07 -1.33 -1.58 117.51 121.06 2d8c h ILE 50 Ca -0.05 -0.22 0.00 0.00 1.55 0.00 0.00 64.86 66.14 2d8c h ILE 50 Cb 0.38 1.17 0.00 0.00 -0.27 0.00 0.00 36.82 38.10 2d8c h ILE 50 CO 0.08 0.00 0.00 0.59 -1.05 0.00 0.00 178.15 177.77 2d8c n ASN 51 N -2.98 1.60 -4.77 2.16 3.02 -0.84 -4.85 115.26 108.60 2d8c n ASN 51 Ca -0.01 -2.12 -0.39 0.00 -0.03 0.00 0.00 54.58 52.03 2d8c n ASN 51 Cb 0.17 -0.36 -0.06 0.00 -0.61 0.00 0.00 39.78 38.92 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 -0.78 4.42 0.09 3.41 1.43 -0.60 -5.04 118.68 121.61 2d8c s LEU 52 Ca 0.12 1.12 0.02 0.00 -1.03 0.00 0.00 54.13 54.36 2d8c s LEU 52 Cb 0.08 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.38 2d8c s LEU 52 CO 0.05 0.12 -0.07 0.42 0.23 0.00 0.00 176.35 177.11 2d8c s THR 53 N -0.26 0.69 0.33 5.49 -4.23 -1.26 -5.00 115.64 111.40 2d8c s THR 53 Ca 0.30 -1.87 0.11 0.00 -1.18 0.00 0.00 61.69 59.05 2d8c s THR 53 Cb -0.18 -1.60 0.33 0.00 1.34 0.00 0.00 72.50 72.39 2d8c s THR 53 CO 0.16 -0.83 1.65 -0.61 -0.54 0.00 0.00 174.62 174.45 2d8c h GLN 54 N 3.08 0.26 -0.46 3.99 4.15 -1.96 1.03 115.11 125.21 2d8c h GLN 54 Ca -0.35 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.06 2d8c h GLN 54 Cb 1.17 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.78 2d8c h GLN 54 CO 0.63 0.17 0.31 0.93 -1.93 0.00 0.00 178.83 178.94 2d8c h GLU 55 N 0.27 0.58 0.00 1.69 5.08 -1.99 -0.49 114.58 119.72 2d8c h GLU 55 Ca 0.69 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.99 2d8c h GLU 55 Cb 1.53 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.65 2d8c h GLU 55 CO -0.64 0.38 -0.11 -0.44 -1.00 0.00 0.00 179.01 177.20 2d8c h ASP 56 N 0.59 0.00 -0.16 1.42 3.32 0.78 -2.64 116.42 119.74 2d8c h ASP 56 Ca 0.17 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.02 2d8c h ASP 56 Cb -0.02 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.53 2d8c h ASP 56 CO -0.04 0.11 -0.71 -0.26 -1.72 0.00 0.00 179.24 176.63 2d8c h PHE 57 N 0.00 1.01 -1.04 4.55 -1.00 -0.92 -3.15 116.94 116.40 2d8c h PHE 57 Ca -0.00 -0.44 0.28 0.00 2.81 0.00 0.00 57.97 60.62 2d8c h PHE 57 Cb 0.36 -0.16 -0.07 0.00 3.61 0.00 0.00 35.95 39.69 2d8c h PHE 57 CO 0.00 1.26 0.70 0.87 -1.61 0.00 0.00 178.31 179.54 2d8c h LYS 58 N 0.48 0.22 -6.07 1.51 1.57 -1.39 -3.30 116.57 109.59 2d8c h LYS 58 Ca -0.04 -0.01 -0.60 0.00 -1.87 0.00 0.00 60.65 58.12 2d8c h LYS 58 Cb 1.34 -0.05 -0.12 0.00 0.08 0.00 0.00 32.23 33.47 2d8c h LYS 58 CO 0.15 0.15 -0.68 -1.59 -0.57 0.00 0.00 179.45 176.90 2d8c s LYS 59 N -5.26 1.90 0.95 3.15 -2.85 -1.19 -4.94 119.74 111.50 2d8c s LYS 59 Ca -0.07 -1.79 -0.12 0.00 -1.00 0.00 0.00 55.97 52.99 2d8c s LYS 59 Cb 0.24 -1.83 0.16 0.00 -2.06 0.00 0.00 37.83 34.34 2d8c s LYS 59 CO 0.79 0.22 1.09 -1.25 0.10 0.00 0.00 175.35 176.30 2d8c s PRO 60 N -3.62 0.81 0.30 1.78 0.04 -1.26 -3.56 135.00 129.49 2d8c s PRO 60 Ca 0.32 0.66 0.09 0.00 0.04 0.00 0.00 61.00 62.11 2d8c s PRO 60 Cb -0.01 -1.77 0.48 0.00 0.04 0.00 0.00 34.50 33.23 2d8c s PRO 60 CO 0.17 -2.51 1.70 -1.00 0.04 0.00 0.00 177.00 175.40 2d8c h PRO 61 N -1.74 0.12 -6.00 0.56 0.13 -1.91 -3.48 132.00 119.68 2d8c h PRO 61 Ca -0.52 -0.06 -0.50 0.00 -0.87 0.00 0.00 66.00 64.04 2d8c h PRO 61 Cb 1.31 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 2d8c h PRO 61 CO 0.56 0.57 1.35 -0.51 -0.23 0.00 0.00 178.00 179.74 2d8c s LEU 62 N -8.05 3.31 -0.18 1.56 1.43 -1.23 -4.90 118.68 110.62 2d8c s LEU 62 Ca -0.03 0.42 -0.14 0.00 -1.03 0.00 0.00 54.13 53.35 2d8c s LEU 62 Cb 0.13 -2.61 0.05 0.00 0.03 0.00 0.00 46.19 43.80 2d8c s LEU 62 CO 0.76 -2.33 0.46 -0.47 0.23 0.00 0.00 176.35 175.00 2d8c s TYR 63 N 8.95 -0.57 -1.15 0.29 5.04 -1.24 -3.86 117.35 124.81 2d8c s TYR 63 Ca 0.68 1.30 -0.15 0.00 -2.44 0.00 0.00 57.07 56.47 2d8c s TYR 63 Cb -0.13 0.23 0.15 0.00 0.35 0.00 0.00 41.96 42.55 2d8c s TYR 63 CO 0.22 -0.29 0.37 0.54 -1.34 0.00 0.00 175.55 175.04 2d8c n ARG 64 N 3.34 -1.46 -0.24 4.97 5.12 -1.26 -4.76 116.66 122.38 2d8c n ARG 64 Ca -0.17 0.09 -0.06 0.00 -1.93 0.00 0.00 57.85 55.78 2d8c n ARG 64 Cb 0.56 -4.30 0.08 0.00 -1.16 0.00 0.00 32.46 27.65 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 -0.53 1.26 -4.49 1.55 2.07 -1.93 -3.46 116.25 110.72 2d8c h VAL 65 Ca -0.37 -0.91 -0.21 0.00 0.82 0.00 0.00 66.70 66.03 2d8c h VAL 65 Cb 1.16 0.50 -0.15 0.00 -1.52 0.00 0.00 31.29 31.28 2d8c h VAL 65 CO 0.55 0.35 -0.59 -0.55 0.02 0.00 0.00 177.57 177.35 2d8c s SER 66 N -6.46 0.17 -0.18 0.57 0.15 -1.26 -4.96 113.70 101.73 2d8c s SER 66 Ca -0.12 -1.31 0.01 0.00 0.70 0.00 0.00 55.95 55.24 2d8c s SER 66 Cb 0.15 0.37 0.26 0.00 -1.71 0.00 0.00 66.02 65.09 2d8c s SER 66 CO 0.84 -0.83 1.41 -1.20 1.20 0.00 0.00 173.24 174.66 2d8c n SER 67 N -0.23 3.53 -0.61 5.45 7.64 -1.26 -3.83 113.62 124.30 2d8c n SER 67 Ca -0.00 -2.66 0.06 0.00 1.01 0.00 0.00 58.87 57.28 2d8c n SER 67 Cb 0.65 -0.67 0.16 0.00 -1.01 0.00 0.00 64.21 63.34 2d8c n SER 67 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2d8c n ASP 68 N -0.09 1.65 -4.21 6.43 5.68 -1.26 -4.97 116.55 119.78 2d8c n ASP 68 Ca 0.24 -3.36 -0.36 0.00 -0.50 0.00 0.00 54.79 50.80 2d8c n ASP 68 Cb 0.93 -0.46 -0.03 0.00 -1.14 0.00 0.00 41.12 40.43 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 -0.90 -3.20 -3.56 -1.12 4.13 -1.25 0.05 115.26 109.42 2d8c n ASN 69 Ca 0.16 -1.01 -0.26 0.00 1.68 0.00 0.00 54.58 55.15 2d8c n ASN 69 Cb 0.75 -2.79 0.05 0.00 -1.54 0.00 0.00 39.78 36.24 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 -1.44 -0.53 0.09 7.41 0.00 -1.26 -4.92 105.19 104.54 2d8c n GLY 70 Ca 0.06 0.20 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 -4.64 0.50 -0.34 1.61 -0.06 0.11 -3.43 117.38 111.14 2d8c n GLN 71 Ca -0.01 0.53 0.01 0.00 -2.00 0.00 0.00 57.00 55.53 2d8c n GLN 71 Cb 0.56 -1.70 0.06 0.00 -4.06 0.00 0.00 30.24 25.10 2d8c n GLN 71 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 2d8c n ARG 72 N -4.53 -0.18 0.32 3.69 0.63 -1.26 -0.24 116.66 115.08 2d8c n ARG 72 Ca -0.18 1.38 -0.15 0.00 -0.92 0.00 0.00 57.85 57.98 2d8c n ARG 72 Cb 0.44 -2.05 -0.08 0.00 0.45 0.00 0.00 32.46 31.22 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 -0.70 -0.95 6.15 5.85 -1.95 -1.88 115.31 121.83 2d8c h LEU 73 Ca 0.34 -0.03 0.29 0.00 0.84 0.00 0.00 57.88 59.33 2d8c h LEU 73 Cb 0.57 0.18 -0.16 0.00 0.37 0.00 0.00 40.66 41.62 2d8c h LEU 73 CO -0.90 -0.36 0.34 -0.07 -0.34 0.00 0.00 178.44 177.11 2d8c h LEU 74 N -1.04 0.12 -0.32 2.25 3.38 -1.03 0.54 115.31 119.20 2d8c h LEU 74 Ca -0.08 0.22 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 2d8c h LEU 74 Cb 0.68 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 2d8c h LEU 74 CO 0.14 -0.23 -0.06 -0.78 0.09 0.00 0.00 178.44 177.60 2d8c h ASP 75 N 0.18 0.62 -0.29 -0.43 1.82 -0.51 0.30 116.42 118.10 2d8c h ASP 75 Ca 0.66 -0.36 -0.05 0.00 -0.39 0.00 0.00 57.03 56.89 2d8c h ASP 75 Cb 1.47 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 41.29 2d8c h ASP 75 CO -0.70 0.83 0.04 0.24 -1.61 0.00 0.00 179.24 178.03 2d8c h MET 76 N 0.39 0.59 0.21 0.28 2.86 0.71 -2.95 114.93 117.03 2d8c h MET 76 Ca 0.08 -0.12 -0.31 0.00 -2.06 0.00 0.00 59.70 57.30 2d8c h MET 76 Cb 0.55 -0.09 0.03 0.00 0.06 0.00 0.00 31.60 32.16 2d8c h MET 76 CO 0.03 0.58 -1.33 0.82 1.06 0.00 0.00 176.91 178.08 2d8c h ILE 77 N 0.57 1.32 -1.11 -1.22 2.04 -0.31 -3.28 117.51 115.52 2d8c h ILE 77 Ca 0.12 -2.62 0.31 0.00 1.00 0.00 0.00 64.86 63.68 2d8c h ILE 77 Cb 0.30 3.00 -0.07 0.00 -0.74 0.00 0.00 36.82 39.32 2d8c h ILE 77 CO 0.01 0.78 0.77 -0.08 0.00 0.00 0.00 178.15 179.62 2d8c h GLU 78 N 0.09 0.14 0.00 2.37 4.81 -0.22 0.96 114.58 122.73 2d8c h GLU 78 Ca -0.23 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 58.89 2d8c h GLU 78 Cb 2.03 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 31.37 2d8c h GLU 78 CO 0.25 0.09 -0.52 0.00 -0.73 0.00 0.00 179.01 178.10 2d8c h THR 79 N 0.14 1.05 0.00 0.32 1.03 -1.59 -2.55 112.91 111.31 2d8c h THR 79 Ca 0.57 -2.05 -0.11 0.00 -0.01 0.00 0.00 66.41 64.81 2d8c h THR 79 Cb 1.95 2.22 -0.02 0.00 -1.07 0.00 0.00 68.15 71.23 2d8c h THR 79 CO -0.12 0.51 -0.54 -0.07 -0.01 0.00 0.00 175.52 175.29 2d8c h LEU 80 N 0.00 0.00 0.00 0.00 3.38 0.87 -3.18 115.31 116.38 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 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2d8c h LEU 80 CO 0.07 0.54 -0.12 0.11 0.09 0.00 0.00 178.44 179.12 2d8c h LYS 81 N 0.00 0.00 -0.75 1.13 6.56 -1.40 -3.18 116.57 118.93 2d8c h LYS 81 Ca -0.01 0.00 0.29 0.00 -1.06 0.00 0.00 60.65 59.87 2d8c h LYS 81 Cb 0.96 0.00 -0.14 0.00 -0.57 0.00 0.00 32.23 32.49 2d8c h LYS 81 CO 0.07 0.00 0.30 0.00 -2.06 0.00 0.00 179.45 177.76 2d8c n MET 82 N -4.41 -0.05 -0.08 3.15 0.00 -0.97 0.24 117.12 115.01 2d8c n MET 82 Ca -0.02 1.06 -0.13 0.00 0.00 0.00 0.00 57.70 58.61 2d8c n MET 82 Cb 0.06 -1.84 -0.05 0.00 0.00 0.00 0.00 33.22 31.39 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 0.58 -6.79 3.17 4.39 -1.69 -3.44 114.58 110.79 2d8c h GLU 83 Ca 0.59 -0.31 -0.43 0.00 0.34 0.00 0.00 59.36 59.56 2d8c h GLU 83 Cb 1.49 0.01 0.22 0.00 -0.10 0.00 0.00 28.75 30.38 2d8c h GLU 83 CO -0.61 0.90 -0.66 1.58 -1.16 0.00 0.00 179.01 179.06 2d8c n HIS 84 N -4.37 -1.63 -0.78 4.33 -0.00 0.66 -4.78 115.22 108.64 2d8c n HIS 84 Ca -0.05 -0.04 -0.07 0.00 0.46 0.00 0.00 57.72 58.02 2d8c n HIS 84 Cb 0.44 -1.57 -0.09 0.00 -0.12 0.00 0.00 29.99 28.64 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 -4.74 0.02 -3.95 1.57 -0.00 -1.26 -4.77 115.22 102.10 2d8c n HIS 85 Ca 0.02 -1.29 -0.09 0.00 -0.00 0.00 0.00 57.72 56.37 2d8c n HIS 85 Cb 0.58 -1.11 -0.09 0.00 -0.00 0.00 0.00 29.99 29.37 2d8c n HIS 85 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2d8c s MET 86 N 0.52 0.62 -0.92 -0.41 0.23 -1.26 -4.85 119.30 113.22 2d8c s MET 86 Ca 0.37 -0.86 -0.04 0.00 -1.03 0.00 0.00 55.69 54.12 2d8c s MET 86 Cb 0.18 0.24 0.04 0.00 -1.53 0.00 0.00 34.83 33.75 2d8c s MET 86 CO -0.00 -0.15 0.20 -1.91 -2.03 0.00 0.00 175.02 171.12 2d8c n GLU 87 N 0.56 -2.73 -3.40 3.16 2.13 -1.26 -4.50 120.64 114.61 2d8c n GLU 87 Ca -0.18 0.38 -0.19 0.00 0.66 0.00 0.00 57.16 57.84 2d8c n GLU 87 Cb 0.59 -4.99 -0.01 0.00 0.27 0.00 0.00 31.44 27.30 2d8c n GLU 87 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2d8c s ALA 88 N -2.60 4.24 -1.30 4.31 0.00 -1.26 -4.59 121.76 120.56 2d8c s ALA 88 Ca 0.18 -1.61 -0.05 0.00 0.00 0.00 0.00 51.96 50.49 2d8c s ALA 88 Cb -0.10 -1.50 0.01 0.00 0.00 0.00 0.00 23.12 21.53 2d8c s ALA 88 CO 0.22 -0.12 1.05 0.72 0.00 0.00 0.00 175.76 177.63 2d8c n HIS 89 N -1.65 -2.47 -2.02 0.00 8.25 -1.26 -4.92 115.22 111.15 2d8c n HIS 89 Ca 0.03 0.96 -0.18 0.00 -0.26 0.00 0.00 57.72 58.26 2d8c n HIS 89 Cb 0.59 -4.94 0.05 0.00 1.12 0.00 0.00 29.99 26.81 2d8c n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2d8c n LYS 90 N -4.54 3.20 -4.85 -0.41 4.76 -1.26 -5.03 118.16 110.02 2d8c n LYS 90 Ca -0.15 -4.00 -0.29 0.00 -2.87 0.00 0.00 58.31 51.01 2d8c n LYS 90 Cb 0.62 -2.13 -0.15 0.00 -1.84 0.00 0.00 35.03 31.53 2d8c n LYS 90 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2d8c s ASN 91 N -3.55 3.01 0.20 4.39 2.20 -1.26 -5.04 114.94 114.88 2d8c s ASN 91 Ca 0.48 -0.57 -0.13 0.00 -0.94 0.00 0.00 52.86 51.69 2d8c s ASN 91 Cb 0.40 -0.27 0.22 0.00 -2.00 0.00 0.00 41.25 39.60 2d8c s ASN 91 CO 0.02 0.24 1.66 -1.28 -2.94 0.00 0.00 177.10 174.80 2d8c h SER 92 N 4.82 -0.33 0.00 3.54 0.87 -1.97 -3.46 113.55 117.02 2d8c h SER 92 Ca -0.46 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 2d8c h SER 92 Cb 1.15 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 2d8c h SER 92 CO 0.44 -0.12 0.00 0.61 -0.53 0.00 0.00 176.83 177.22 2d8c n GLY 93 N -1.35 -1.85 3.58 5.77 0.00 -1.26 -5.16 105.19 104.92 2d8c n GLY 93 Ca 0.06 0.61 -0.30 0.00 0.00 0.00 0.00 46.02 46.39 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 -1.43 -1.60 -1.79 1.61 0.04 -1.26 -3.96 135.00 126.61 2d8c s PRO 94 Ca 0.00 -0.20 -0.18 0.00 0.04 0.00 0.00 61.00 60.66 2d8c s PRO 94 Cb 0.00 -1.56 0.17 0.00 0.04 0.00 0.00 34.50 33.15 2d8c s PRO 94 CO 0.00 -3.93 0.49 -1.13 0.04 0.00 0.00 177.00 172.47 2d8c n SER 95 N -4.89 -1.36 -4.52 6.66 3.41 -1.26 -4.63 113.62 107.03 2d8c n SER 95 Ca 0.15 -1.22 -0.39 0.00 -0.26 0.00 0.00 58.87 57.15 2d8c n SER 95 Cb 0.60 -1.76 -0.11 0.00 -0.26 0.00 0.00 64.21 62.68 2d8c n SER 95 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2d8c n SER 96 N -2.59 0.98 0.00 4.04 2.88 -1.25 -5.03 113.62 112.65 2d8c n SER 96 Ca 0.01 -0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 2d8c n SER 96 Cb 0.51 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.82 2d8c n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42