#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 5.53 0.13 1.61 0.01 -1.26 -5.05 113.70 114.67 2d8c s SER 2 Ca 0.00 0.55 0.00 0.00 1.31 0.00 0.00 55.95 57.81 2d8c s SER 2 Cb 0.00 -1.54 0.00 0.00 0.21 0.00 0.00 66.02 64.69 2d8c s SER 2 CO 0.00 -1.06 0.00 -0.24 0.41 0.00 0.00 173.24 172.35 2d8c n SER 3 N -2.50 0.81 0.00 2.44 2.88 -1.26 -5.15 113.62 110.84 2d8c n SER 3 Ca 0.05 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 2d8c n SER 3 Cb 0.58 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 2d8c n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d8c n GLY 4 N 3.12 1.45 3.29 0.46 0.00 -1.26 -5.14 105.19 107.10 2d8c n GLY 4 Ca 0.00 -0.85 -0.25 0.00 0.00 0.00 0.00 46.02 44.92 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 2.61 -0.06 1.61 0.15 -1.26 -5.15 113.70 111.61 2d8c s SER 5 Ca 0.00 -0.64 -0.05 0.00 0.70 0.00 0.00 55.95 55.96 2d8c s SER 5 Cb 0.00 -0.17 0.02 0.00 -1.71 0.00 0.00 66.02 64.16 2d8c s SER 5 CO 0.00 0.11 0.15 -0.94 1.20 0.00 0.00 173.24 173.75 2d8c s SER 6 N -1.69 -0.15 0.00 5.45 1.04 -1.26 -5.07 113.70 112.03 2d8c s SER 6 Ca 0.08 0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.80 2d8c s SER 6 Cb -0.10 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.31 2d8c s SER 6 CO 0.04 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.80 2d8c n GLY 7 N 3.17 -1.85 3.00 7.32 0.00 -1.26 -5.16 105.19 110.41 2d8c n GLY 7 Ca -0.14 0.90 -0.13 0.00 0.00 0.00 0.00 46.02 46.65 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 0.00 0.15 -0.08 1.61 0.00 -1.26 -5.08 119.30 114.64 2d8c s MET 8 Ca 0.00 0.25 -0.02 0.00 0.00 0.00 0.00 55.69 55.91 2d8c s MET 8 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 34.83 34.84 2d8c s MET 8 CO 0.00 -0.06 -0.05 -0.07 0.00 0.00 0.00 175.02 174.85 2d8c h LEU 9 N 6.24 0.00 -9.93 0.18 3.38 -2.01 -3.46 115.31 109.70 2d8c h LEU 9 Ca -0.29 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.17 2d8c h LEU 9 Cb 1.19 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.98 2d8c h LEU 9 CO 0.42 0.42 0.49 -0.94 0.09 0.00 0.00 178.44 178.92 2d8c s SER 10 N -4.91 6.67 0.00 -0.43 1.04 -1.26 -5.00 113.70 109.81 2d8c s SER 10 Ca -0.04 2.29 0.00 0.00 0.48 0.00 0.00 55.95 58.68 2d8c s SER 10 Cb 0.01 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.51 2d8c s SER 10 CO 0.06 -0.57 0.72 0.00 0.98 0.00 0.00 173.24 174.43 2d8c n ALA 11 N 0.21 -0.24 -2.02 5.32 0.00 -1.26 -4.88 120.51 117.64 2d8c n ALA 11 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.27 2d8c n ALA 11 Cb 0.47 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.99 2d8c n ALA 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2d8c s ARG 12 N -1.93 2.09 0.70 0.00 3.00 -1.26 -5.08 118.95 116.46 2d8c s ARG 12 Ca 0.00 -1.52 -0.15 0.00 0.00 0.00 0.00 55.73 54.07 2d8c s ARG 12 Cb 0.00 -2.55 0.02 0.00 0.00 0.00 0.00 34.95 32.42 2d8c s ARG 12 CO 0.00 -1.06 1.14 -0.08 0.00 0.00 0.00 175.30 175.30 2d8c s THR 13 N -2.82 2.89 -0.07 0.02 -1.32 -1.26 -4.97 115.64 108.11 2d8c s THR 13 Ca 0.64 0.41 0.10 0.00 -1.21 0.00 0.00 61.69 61.63 2d8c s THR 13 Cb -0.05 -2.92 0.17 0.00 -1.51 0.00 0.00 72.50 68.18 2d8c s THR 13 CO 0.41 -0.26 1.08 1.15 -2.21 0.00 0.00 174.62 174.79 2d8c n MET 14 N -2.63 0.66 0.15 7.08 0.00 -1.26 -4.65 117.12 116.46 2d8c n MET 14 Ca 0.11 -1.86 0.01 0.00 0.00 0.00 0.00 57.70 55.96 2d8c n MET 14 Cb 0.51 -0.99 0.20 0.00 0.00 0.00 0.00 33.22 32.94 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 0.07 0.00 0.00 3.17 6.56 -1.88 -3.38 116.57 121.11 2d8c h LYS 15 Ca -0.01 0.00 -0.18 0.00 -1.06 0.00 0.00 60.65 59.40 2d8c h LYS 15 Cb 1.22 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.85 2d8c h LYS 15 CO 0.00 0.56 -1.48 -0.85 -2.06 0.00 0.00 179.45 175.62 2d8c n GLU 16 N -3.68 0.30 -1.79 3.15 0.28 -1.26 -2.61 120.64 115.03 2d8c n GLU 16 Ca -0.01 0.13 -0.03 0.00 -0.16 0.00 0.00 57.16 57.09 2d8c n GLU 16 Cb 0.60 -1.01 -0.01 0.00 1.43 0.00 0.00 31.44 32.46 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 -3.74 -0.07 -0.02 3.84 3.14 -1.26 -4.61 118.33 115.61 2d8c n VAL 17 Ca -0.23 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.12 2d8c n VAL 17 Cb 0.59 -0.32 -0.02 0.00 -1.06 0.00 0.00 33.84 33.03 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 -1.95 0.26 1.47 1.55 0.24 -1.26 -2.69 118.33 115.95 2d8c n VAL 18 Ca -0.03 -0.10 0.10 0.00 -2.04 0.00 0.00 64.34 62.27 2d8c n VAL 18 Cb 0.31 -0.67 0.42 0.00 -1.47 0.00 0.00 33.84 32.43 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 0.15 -0.26 6.34 4.01 -1.26 -1.50 117.16 122.02 2d8c n TYR 19 Ca -0.08 -0.07 -0.11 0.00 -0.16 0.00 0.00 57.90 57.47 2d8c n TYR 19 Cb 0.59 0.00 0.11 0.00 -0.31 0.00 0.00 39.34 39.73 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 -0.03 -2.20 -4.23 -0.72 7.02 -1.26 -4.93 117.44 111.08 2d8c n TRP 20 Ca 0.15 -0.14 -0.24 0.00 -1.02 0.00 0.00 57.50 56.24 2d8c n TRP 20 Cb 0.24 -0.79 -0.08 0.00 -2.42 0.00 0.00 31.31 28.26 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 -2.02 4.35 0.24 -0.99 0.01 -1.26 -4.47 113.70 109.57 2d8c s SER 21 Ca 0.25 -1.00 0.23 0.00 1.31 0.00 0.00 55.95 56.74 2d8c s SER 21 Cb -0.04 -0.55 0.96 0.00 0.21 0.00 0.00 66.02 66.60 2d8c s SER 21 CO 0.21 -0.36 1.69 -0.81 0.41 0.00 0.00 173.24 174.38 2d8c n PRO 22 N -1.09 0.18 -0.00 12.44 -0.04 -1.26 -2.18 135.00 143.04 2d8c n PRO 22 Ca -0.03 0.42 0.05 0.00 -0.04 0.00 0.00 63.50 63.89 2d8c n PRO 22 Cb 0.63 -1.85 -0.13 0.00 -0.04 0.00 0.00 33.50 32.11 2d8c n PRO 22 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2d8c n LYS 23 N -2.19 0.65 -0.07 0.54 4.76 -1.26 -4.44 118.16 116.15 2d8c n LYS 23 Ca 0.02 -0.04 -0.11 0.00 -2.87 0.00 0.00 58.31 55.32 2d8c n LYS 23 Cb 0.22 -1.62 -0.09 0.00 -1.84 0.00 0.00 35.03 31.70 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 -1.63 1.97 1.63 -1.84 -3.28 116.57 113.41 2d8c h LYS 24 Ca -0.14 0.00 0.51 0.00 -0.85 0.00 0.00 60.65 60.17 2d8c h LYS 24 Cb 1.37 0.00 -0.11 0.00 -0.60 0.00 0.00 32.23 32.89 2d8c h LYS 24 CO 0.01 0.73 1.12 0.28 -3.45 0.00 0.00 179.45 178.14 2d8c n VAL 25 N -4.64 -0.12 0.15 2.00 0.31 -0.93 -0.14 118.33 114.96 2d8c n VAL 25 Ca -0.09 1.60 -0.09 0.00 -0.01 0.00 0.00 64.34 65.76 2d8c n VAL 25 Cb 0.37 -2.65 -0.05 0.00 -0.91 0.00 0.00 33.84 30.61 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 1.26 -0.46 -1.43 3.52 0.00 -1.78 -3.15 119.26 117.23 2d8c h ALA 26 Ca 0.89 -0.14 0.45 0.00 0.00 0.00 0.00 54.91 56.11 2d8c h ALA 26 Cb 3.22 0.18 -0.11 0.00 0.00 0.00 0.00 17.79 21.07 2d8c h ALA 26 CO -0.24 -0.44 0.96 -0.44 0.00 0.00 0.00 179.25 179.09 2d8c h ASP 27 N -1.08 0.18 -0.42 0.00 3.32 -0.60 1.26 116.42 119.09 2d8c h ASP 27 Ca -0.05 0.09 -0.12 0.00 0.02 0.00 0.00 57.03 56.97 2d8c h ASP 27 Cb 0.42 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 2d8c h ASP 27 CO 0.08 -0.11 -0.21 -0.25 -1.72 0.00 0.00 179.24 177.02 2d8c h TRP 28 N 0.08 1.05 0.91 4.55 7.01 -1.45 -1.85 115.95 126.24 2d8c h TRP 28 Ca 0.81 -0.25 -0.04 0.00 2.11 0.00 0.00 58.89 61.52 2d8c h TRP 28 Cb 2.73 -0.25 0.01 0.00 -2.10 0.00 0.00 29.16 29.55 2d8c h TRP 28 CO -0.00 1.04 -0.43 -0.07 -2.79 0.00 0.00 178.44 176.18 2d8c h LEU 29 N 0.80 -1.03 -1.75 0.65 3.38 0.16 -2.86 115.31 114.66 2d8c h LEU 29 Ca 0.11 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.21 2d8c h LEU 29 Cb 0.77 0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 2d8c h LEU 29 CO 0.06 -0.70 0.35 -0.07 0.09 0.00 0.00 178.44 178.17 2d8c h LEU 30 N -1.28 0.25 -2.51 1.67 -0.00 -1.54 0.15 115.31 112.06 2d8c h LEU 30 Ca -0.12 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.76 2d8c h LEU 30 Cb 0.93 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.54 2d8c h LEU 30 CO 0.20 0.15 0.10 -0.08 -0.00 0.00 0.00 178.44 178.81 2d8c h GLU 31 N 0.28 0.00 0.00 1.13 4.81 -1.09 0.41 114.58 120.12 2d8c h GLU 31 Ca 0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2d8c h GLU 31 Cb 0.58 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.96 2d8c h GLU 31 CO -0.05 0.00 -0.00 0.09 -0.73 0.00 0.00 179.01 178.32 2d8c n ASN 32 N -2.91 1.93 -1.70 1.04 3.02 0.32 -4.99 115.26 111.97 2d8c n ASN 32 Ca -0.03 -2.05 -0.07 0.00 -0.03 0.00 0.00 54.58 52.40 2d8c n ASN 32 Cb 0.16 -0.04 0.03 0.00 -0.61 0.00 0.00 39.78 39.31 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 -0.56 -0.56 -2.43 5.41 0.00 0.14 -4.98 120.51 117.52 2d8c n ALA 33 Ca 0.01 0.08 -0.25 0.00 0.00 0.00 0.00 53.44 53.28 2d8c n ALA 33 Cb 0.30 -1.81 0.01 0.00 0.00 0.00 0.00 19.45 17.94 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 -2.09 3.27 0.00 0.00 2.81 0.07 -4.81 117.12 116.37 2d8c n MET 34 Ca -0.04 -4.36 0.07 0.00 -1.81 0.00 0.00 57.70 51.56 2d8c n MET 34 Cb 0.54 -2.17 0.36 0.00 -0.71 0.00 0.00 33.22 31.24 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 -0.48 0.19 0.13 0.03 -0.04 -1.26 -2.32 135.00 131.24 2d8c n PRO 35 Ca 0.37 0.16 0.03 0.00 -0.04 0.00 0.00 63.50 64.02 2d8c n PRO 35 Cb 0.72 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.70 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 -1.92 -3.24 114.58 119.06 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 0.15 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.25 2d8c h GLU 36 CO 0.00 0.41 -0.78 0.66 0.05 0.00 0.00 179.01 179.35 2d8c n TYR 37 N -3.15 0.05 -0.32 2.06 4.01 -0.98 -4.21 117.16 114.62 2d8c n TYR 37 Ca 0.01 0.01 -0.02 0.00 -0.16 0.00 0.00 57.90 57.74 2d8c n TYR 37 Cb 0.72 -0.19 0.10 0.00 -0.31 0.00 0.00 39.34 39.65 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 1.13 -1.00 0.00 0.00 4.39 -1.75 1.20 114.58 118.55 2d8c h GLU 39 Ca 0.33 0.07 -0.01 0.00 0.34 0.00 0.00 59.36 60.09 2d8c h GLU 39 Cb -0.07 0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2d8c h GLU 39 CO -0.09 -0.66 -0.03 -1.00 -1.16 0.00 0.00 179.01 176.07 2d8c h PRO 40 N -1.03 0.00 -0.52 2.33 0.13 -1.77 -2.55 132.00 128.58 2d8c h PRO 40 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2d8c h PRO 40 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2d8c h PRO 40 CO -0.03 0.03 0.00 1.28 -0.23 0.00 0.00 178.00 179.05 2d8c n LEU 41 N -3.14 3.79 -0.21 1.56 4.77 0.11 -4.55 117.00 119.33 2d8c n LEU 41 Ca 0.00 -2.23 -0.05 0.00 -0.03 0.00 0.00 56.01 53.70 2d8c n LEU 41 Cb 0.31 -0.42 0.05 0.00 -2.33 0.00 0.00 43.42 41.02 2d8c n LEU 41 CO 0.28 0.81 1.11 1.05 -1.33 0.00 0.00 177.39 179.31 2d8c h GLU 42 N 3.13 0.73 -0.63 3.23 4.11 0.19 -2.33 114.58 123.01 2d8c h GLU 42 Ca 0.00 -0.04 -0.24 0.00 0.07 0.00 0.00 59.36 59.14 2d8c h GLU 42 Cb 1.07 -0.16 -0.15 0.00 0.50 0.00 0.00 28.75 30.01 2d8c h GLU 42 CO 0.09 0.48 0.23 -2.39 0.07 0.00 0.00 179.01 177.48 2d8c n HIS 43 N -4.72 2.02 -3.76 2.06 1.44 -1.26 -4.65 115.22 106.35 2d8c n HIS 43 Ca 0.05 -1.41 -0.34 0.00 -2.01 0.00 0.00 57.72 54.01 2d8c n HIS 43 Cb 0.07 -0.64 -0.05 0.00 0.12 0.00 0.00 29.99 29.48 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 -3.11 3.57 0.03 -1.40 0.40 -0.88 -4.98 117.98 111.61 2d8c s PHE 44 Ca 0.51 0.55 0.03 0.00 -0.60 0.00 0.00 56.93 57.43 2d8c s PHE 44 Cb 0.43 -1.98 -0.04 0.00 0.51 0.00 0.00 43.02 41.94 2d8c s PHE 44 CO 0.09 0.60 -0.03 0.95 0.70 0.00 0.00 175.22 177.52 2d8c s THR 45 N -1.34 3.86 0.24 0.64 -4.23 -1.26 -4.20 115.64 109.34 2d8c s THR 45 Ca 0.29 -0.82 0.13 0.00 -1.18 0.00 0.00 61.69 60.12 2d8c s THR 45 Cb -0.13 -2.74 0.22 0.00 1.34 0.00 0.00 72.50 71.19 2d8c s THR 45 CO 0.17 0.30 1.01 0.61 -0.54 0.00 0.00 174.62 176.17 2d8c n GLY 46 N 1.20 -0.48 0.07 3.99 0.00 -1.26 0.18 105.19 108.89 2d8c n GLY 46 Ca -0.14 0.51 -0.13 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.06 -0.58 1.61 5.75 -1.05 -2.11 115.11 118.67 2d8c h GLN 47 Ca 0.54 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.98 2d8c h GLN 47 Cb 1.44 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.98 2d8c h GLN 47 CO -0.49 0.31 0.11 -0.44 -2.65 0.00 0.00 178.83 175.67 2d8c h ASP 48 N -0.43 0.88 -0.15 -0.69 5.19 0.15 -2.18 116.42 119.19 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 0.39 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 2d8c h ASP 48 CO 0.01 0.88 0.10 0.25 -3.12 0.00 0.00 179.24 177.36 2d8c h LEU 49 N 0.88 0.18 -1.48 1.55 6.46 -0.54 -1.69 115.31 120.67 2d8c h LEU 49 Ca 0.18 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 2d8c h LEU 49 Cb 0.37 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 2d8c h LEU 49 CO 0.01 0.14 0.00 0.16 -0.62 0.00 0.00 178.44 178.13 2d8c h ILE 50 N 0.20 0.00 -0.19 4.05 3.07 -1.23 -2.07 117.51 121.35 2d8c h ILE 50 Ca 0.06 -0.34 0.00 0.00 1.55 0.00 0.00 64.86 66.12 2d8c h ILE 50 Cb -0.01 1.25 0.00 0.00 -0.27 0.00 0.00 36.82 37.79 2d8c h ILE 50 CO -0.01 0.00 0.00 0.59 -1.05 0.00 0.00 178.15 177.68 2d8c n ASN 51 N -2.83 1.24 -4.75 2.16 3.02 -0.64 -4.87 115.26 108.59 2d8c n ASN 51 Ca 0.00 -2.04 -0.40 0.00 -0.03 0.00 0.00 54.58 52.11 2d8c n ASN 51 Cb 0.24 -0.20 -0.06 0.00 -0.61 0.00 0.00 39.78 39.16 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 -0.96 4.57 0.18 3.41 1.43 -0.78 -5.05 118.68 121.49 2d8c s LEU 52 Ca 0.13 1.75 0.01 0.00 -1.03 0.00 0.00 54.13 55.00 2d8c s LEU 52 Cb 0.07 -3.46 -0.05 0.00 0.03 0.00 0.00 46.19 42.79 2d8c s LEU 52 CO 0.08 0.11 0.02 0.42 0.23 0.00 0.00 176.35 177.21 2d8c s THR 53 N -0.77 0.57 0.50 5.49 -4.23 -1.26 -5.01 115.64 110.93 2d8c s THR 53 Ca 0.40 -1.97 0.21 0.00 -1.18 0.00 0.00 61.69 59.15 2d8c s THR 53 Cb -0.24 -2.18 0.37 0.00 1.34 0.00 0.00 72.50 71.79 2d8c s THR 53 CO 0.29 -0.41 2.01 -0.61 -0.54 0.00 0.00 174.62 175.35 2d8c h GLN 54 N 2.68 0.10 0.00 3.99 4.15 -1.95 0.29 115.11 124.38 2d8c h GLN 54 Ca -0.37 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.02 2d8c h GLN 54 Cb 1.21 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.87 2d8c h GLN 54 CO 0.62 0.07 -0.12 1.05 -1.93 0.00 0.00 178.83 178.51 2d8c h GLU 55 N 0.10 0.00 0.00 1.69 4.11 -1.98 -2.63 114.58 115.88 2d8c h GLU 55 Ca 0.24 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.60 2d8c h GLU 55 Cb 0.80 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 2d8c h GLU 55 CO -0.02 0.12 -0.30 -0.44 0.07 0.00 0.00 179.01 178.43 2d8c h ASP 56 N 0.00 0.00 1.20 3.06 3.32 -0.77 -3.03 116.42 120.21 2d8c h ASP 56 Ca -0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 2d8c h ASP 56 Cb 0.63 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 2d8c h ASP 56 CO 0.02 0.30 -0.31 -0.26 -1.72 0.00 0.00 179.24 177.27 2d8c h PHE 57 N 0.00 0.00 -0.37 4.55 -1.00 -1.41 -3.13 116.94 115.58 2d8c h PHE 57 Ca -0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 2d8c h PHE 57 Cb 1.01 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.55 2d8c h PHE 57 CO 0.00 0.31 0.20 0.87 -1.61 0.00 0.00 178.31 178.08 2d8c h LYS 58 N 0.00 0.50 -6.06 1.51 1.57 -1.58 -3.34 116.57 109.17 2d8c h LYS 58 Ca -0.00 -0.05 -0.61 0.00 -1.87 0.00 0.00 60.65 58.12 2d8c h LYS 58 Cb 1.00 -0.11 -0.13 0.00 0.08 0.00 0.00 32.23 33.07 2d8c h LYS 58 CO 0.04 0.38 -0.70 -1.59 -0.57 0.00 0.00 179.45 177.00 2d8c s LYS 59 N -5.36 1.81 0.97 3.15 -2.85 -1.18 -4.95 119.74 111.32 2d8c s LYS 59 Ca -0.08 -1.84 -0.12 0.00 -1.00 0.00 0.00 55.97 52.93 2d8c s LYS 59 Cb 0.17 -1.77 0.17 0.00 -2.06 0.00 0.00 37.83 34.35 2d8c s LYS 59 CO 0.73 0.22 1.09 -1.25 0.10 0.00 0.00 175.35 176.25 2d8c s PRO 60 N -3.58 0.65 0.38 1.78 0.04 -1.26 -3.50 135.00 129.50 2d8c s PRO 60 Ca 0.32 0.61 0.17 0.00 0.04 0.00 0.00 61.00 62.13 2d8c s PRO 60 Cb -0.01 -1.76 0.74 0.00 0.04 0.00 0.00 34.50 33.51 2d8c s PRO 60 CO 0.16 -2.61 1.79 -1.00 0.04 0.00 0.00 177.00 175.38 2d8c h PRO 61 N -1.80 0.00 -6.11 0.56 0.13 -1.93 -3.48 132.00 119.36 2d8c h PRO 61 Ca -0.53 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.08 2d8c h PRO 61 Cb 1.32 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.40 2d8c h PRO 61 CO 0.57 0.38 1.28 -0.51 -0.23 0.00 0.00 178.00 179.49 2d8c s LEU 62 N -7.54 3.32 -0.29 1.56 1.43 -1.23 -4.90 118.68 111.03 2d8c s LEU 62 Ca -0.01 0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 53.42 2d8c s LEU 62 Cb 0.13 -2.73 0.16 0.00 0.03 0.00 0.00 46.19 43.78 2d8c s LEU 62 CO 0.70 -2.15 0.59 -0.47 0.23 0.00 0.00 176.35 175.25 2d8c s TYR 63 N 8.07 -1.45 -1.51 0.29 5.04 -1.25 -4.02 117.35 122.52 2d8c s TYR 63 Ca 0.64 1.85 -0.03 0.00 -2.44 0.00 0.00 57.07 57.09 2d8c s TYR 63 Cb -0.13 0.60 0.00 0.00 0.35 0.00 0.00 41.96 42.78 2d8c s TYR 63 CO 0.22 -0.79 0.34 0.54 -1.34 0.00 0.00 175.55 174.52 2d8c n ARG 64 N 5.43 -3.32 0.07 4.97 5.12 -1.26 -4.89 116.66 122.78 2d8c n ARG 64 Ca -0.05 0.87 -0.07 0.00 -1.93 0.00 0.00 57.85 56.68 2d8c n ARG 64 Cb 0.50 -5.52 0.07 0.00 -1.16 0.00 0.00 32.46 26.35 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 -0.77 1.41 -3.77 1.55 2.07 -1.92 -3.45 116.25 111.36 2d8c h VAL 65 Ca -0.47 -2.14 -0.31 0.00 0.82 0.00 0.00 66.70 64.59 2d8c h VAL 65 Cb 1.34 2.12 -0.18 0.00 -1.52 0.00 0.00 31.29 33.04 2d8c h VAL 65 CO 0.53 0.63 -0.73 -0.55 0.02 0.00 0.00 177.57 177.47 2d8c s SER 66 N -6.92 1.38 -0.14 0.57 0.15 -1.26 -4.92 113.70 102.56 2d8c s SER 66 Ca -0.04 -0.79 -0.00 0.00 0.70 0.00 0.00 55.95 55.82 2d8c s SER 66 Cb 0.11 0.01 0.11 0.00 -1.71 0.00 0.00 66.02 64.55 2d8c s SER 66 CO 0.81 -0.26 1.80 -1.54 1.20 0.00 0.00 173.24 175.26 2d8c n SER 67 N 0.64 5.19 0.00 5.45 3.41 -1.26 -3.31 113.62 123.74 2d8c n SER 67 Ca -0.17 -2.63 0.00 0.00 -0.26 0.00 0.00 58.87 55.82 2d8c n SER 67 Cb 0.57 -0.96 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 2d8c n SER 67 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2d8c n ASP 68 N 0.75 0.47 -1.07 4.04 9.92 -1.26 -5.01 116.55 124.39 2d8c n ASP 68 Ca 0.14 -0.86 -0.09 0.00 -0.53 0.00 0.00 54.79 53.45 2d8c n ASP 68 Cb 0.59 0.12 0.00 0.00 -0.64 0.00 0.00 41.12 41.19 2d8c n ASP 68 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2d8c n ASN 69 N -0.12 -3.12 0.00 -2.24 2.85 -1.21 -2.61 115.26 108.81 2d8c n ASN 69 Ca 0.00 -0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.44 2d8c n ASN 69 Cb 0.08 -2.33 0.00 0.00 1.24 0.00 0.00 39.78 38.77 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 -1.02 2.78 0.37 8.20 0.00 -1.26 -4.90 105.19 109.35 2d8c n GLY 70 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 1.87 -0.48 -0.76 1.61 -0.00 -1.90 0.30 115.11 115.75 2d8c h GLN 71 Ca 0.00 0.03 0.07 0.00 -0.00 0.00 0.00 58.65 58.75 2d8c h GLN 71 Cb 0.00 0.11 -0.09 0.00 0.00 0.00 0.00 27.48 27.50 2d8c h GLN 71 CO 0.00 -0.32 -0.45 -2.13 0.00 0.00 0.00 178.83 175.93 2d8c n ARG 72 N -4.80 -0.33 0.37 1.69 0.63 -1.26 -0.16 116.66 112.79 2d8c n ARG 72 Ca -0.05 1.33 -0.16 0.00 -0.92 0.00 0.00 57.85 58.04 2d8c n ARG 72 Cb 0.30 -1.96 -0.08 0.00 0.45 0.00 0.00 32.46 31.17 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 -1.03 -0.98 6.15 5.85 -1.89 -1.46 115.31 121.95 2d8c h LEU 73 Ca 0.12 0.06 0.41 0.00 0.84 0.00 0.00 57.88 59.31 2d8c h LEU 73 Cb 0.31 0.30 -0.18 0.00 0.37 0.00 0.00 40.66 41.46 2d8c h LEU 73 CO -0.71 -0.63 0.53 0.18 -0.34 0.00 0.00 178.44 177.46 2d8c n LEU 74 N -5.01 0.34 -0.08 2.25 4.77 0.10 0.16 117.00 119.54 2d8c n LEU 74 Ca -0.12 1.62 -0.14 0.00 -0.03 0.00 0.00 56.01 57.33 2d8c n LEU 74 Cb 0.42 -0.79 -0.05 0.00 -2.33 0.00 0.00 43.42 40.67 2d8c n LEU 74 CO 0.29 -1.81 0.52 -0.78 -1.33 0.00 0.00 177.39 174.28 2d8c h ASP 75 N 0.00 0.77 -0.19 -1.43 3.58 -0.12 0.17 116.42 119.20 2d8c h ASP 75 Ca 0.83 -0.50 -0.03 0.00 0.42 0.00 0.00 57.03 57.75 2d8c h ASP 75 Cb 2.19 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 43.01 2d8c h ASP 75 CO -0.75 1.12 0.04 0.24 -2.88 0.00 0.00 179.24 177.02 2d8c h MET 76 N 0.43 0.40 0.17 0.28 2.86 0.27 -2.84 114.93 116.50 2d8c h MET 76 Ca 0.03 -0.06 -0.33 0.00 -2.06 0.00 0.00 59.70 57.28 2d8c h MET 76 Cb 0.94 -0.07 0.01 0.00 0.06 0.00 0.00 31.60 32.54 2d8c h MET 76 CO 0.08 0.39 -1.63 0.82 1.06 0.00 0.00 176.91 177.63 2d8c h ILE 77 N 0.39 1.07 -1.08 -1.22 2.04 -0.86 -3.34 117.51 114.51 2d8c h ILE 77 Ca 0.09 -2.65 0.33 0.00 1.00 0.00 0.00 64.86 63.63 2d8c h ILE 77 Cb 0.19 2.79 -0.13 0.00 -0.74 0.00 0.00 36.82 38.93 2d8c h ILE 77 CO -0.00 0.84 0.65 -0.08 0.00 0.00 0.00 178.15 179.56 2d8c h GLU 78 N 0.10 0.29 0.00 2.37 4.81 -0.40 1.30 114.58 123.04 2d8c h GLU 78 Ca -0.29 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 58.82 2d8c h GLU 78 Cb 2.07 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 31.37 2d8c h GLU 78 CO 0.18 0.19 -0.50 0.00 -0.73 0.00 0.00 179.01 178.15 2d8c h THR 79 N 0.30 1.20 -0.22 0.32 1.03 -1.66 -2.77 112.91 111.11 2d8c h THR 79 Ca 0.72 -1.81 -0.11 0.00 -0.01 0.00 0.00 66.41 65.21 2d8c h THR 79 Cb 1.82 2.02 -0.01 0.00 -1.07 0.00 0.00 68.15 70.91 2d8c h THR 79 CO -0.50 0.49 -0.32 -0.07 -0.01 0.00 0.00 175.52 175.11 2d8c h LEU 80 N 0.00 0.46 0.20 0.00 3.38 0.15 -3.13 115.31 116.36 2d8c h LEU 80 Ca -0.00 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 2d8c h LEU 80 Cb 0.98 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2d8c h LEU 80 CO 0.06 0.75 -0.09 0.11 0.09 0.00 0.00 178.44 179.36 2d8c h LYS 81 N 0.39 -0.25 -1.43 1.13 6.56 -1.29 -3.22 116.57 118.46 2d8c h LYS 81 Ca 0.05 0.02 0.45 0.00 -1.06 0.00 0.00 60.65 60.10 2d8c h LYS 81 Cb 0.75 0.06 -0.09 0.00 -0.57 0.00 0.00 32.23 32.37 2d8c h LYS 81 CO 0.06 -0.17 0.98 0.00 -2.06 0.00 0.00 179.45 178.26 2d8c n MET 82 N -4.16 -0.02 -0.08 3.15 0.00 -1.06 0.23 117.12 115.19 2d8c n MET 82 Ca -0.03 0.99 -0.12 0.00 0.00 0.00 0.00 57.70 58.53 2d8c n MET 82 Cb 0.10 -2.11 -0.05 0.00 0.00 0.00 0.00 33.22 31.16 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 0.48 -7.30 3.17 4.39 -1.59 -3.45 114.58 110.28 2d8c h GLU 83 Ca 0.77 -0.22 -0.51 0.00 0.34 0.00 0.00 59.36 59.75 2d8c h GLU 83 Cb 2.81 -0.01 0.09 0.00 -0.10 0.00 0.00 28.75 31.54 2d8c h GLU 83 CO -0.20 0.77 0.37 -1.58 -1.16 0.00 0.00 179.01 177.21 2d8c s HIS 84 N -4.52 3.05 -1.11 4.33 2.46 0.63 -4.84 115.29 115.30 2d8c s HIS 84 Ca -0.14 1.45 -0.23 0.00 0.47 0.00 0.00 55.06 56.61 2d8c s HIS 84 Cb 0.07 -2.92 -0.09 0.00 -0.13 0.00 0.00 32.58 29.50 2d8c s HIS 84 CO 0.77 -1.23 1.96 -1.01 -2.47 0.00 0.00 174.74 172.77 2d8c s HIS 85 N -2.87 1.84 -0.64 3.88 0.09 -1.26 -4.73 115.29 111.60 2d8c s HIS 85 Ca 0.60 0.70 -0.01 0.00 -0.00 0.00 0.00 55.06 56.35 2d8c s HIS 85 Cb -0.15 -3.93 0.43 0.00 -0.00 0.00 0.00 32.58 28.93 2d8c s HIS 85 CO 0.50 -1.27 1.89 -1.33 -0.00 0.00 0.00 174.74 174.53 2d8c n MET 86 N 8.40 2.85 -4.33 1.40 2.81 -1.26 -4.88 117.12 122.10 2d8c n MET 86 Ca 0.44 -3.49 -0.36 0.00 -1.81 0.00 0.00 57.70 52.48 2d8c n MET 86 Cb 0.47 -2.28 -0.06 0.00 -0.71 0.00 0.00 33.22 30.63 2d8c n MET 86 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2d8c n GLU 87 N -0.82 -1.71 -1.64 0.03 4.71 -1.26 -4.77 120.64 115.18 2d8c n GLU 87 Ca 0.58 0.22 -0.50 0.00 -0.01 0.00 0.00 57.16 57.45 2d8c n GLU 87 Cb 0.64 -4.48 -0.05 0.00 -1.01 0.00 0.00 31.44 26.53 2d8c n GLU 87 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2d8c n ALA 88 N -4.33 0.17 0.20 0.62 0.00 -1.26 -4.89 120.51 111.03 2d8c n ALA 88 Ca -0.07 0.45 -0.15 0.00 0.00 0.00 0.00 53.44 53.68 2d8c n ALA 88 Cb 0.56 -2.24 -0.07 0.00 0.00 0.00 0.00 19.45 17.70 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 5.84 -0.60 -2.53 0.00 3.86 -2.04 -3.38 115.15 116.30 2d8c h HIS 89 Ca -0.47 -0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.20 2d8c h HIS 89 Cb 1.30 0.22 -0.04 0.00 1.06 0.00 0.00 27.41 29.95 2d8c h HIS 89 CO 0.66 -0.35 1.24 0.21 0.86 0.00 0.00 177.93 180.55 2d8c s LYS 90 N -6.09 3.11 -0.21 2.45 2.36 -1.26 -4.83 119.74 115.26 2d8c s LYS 90 Ca -0.16 0.88 -0.18 0.00 -2.55 0.00 0.00 55.97 53.96 2d8c s LYS 90 Cb 0.06 -4.23 -0.15 0.00 -1.05 0.00 0.00 37.83 32.46 2d8c s LYS 90 CO 0.64 -2.15 0.03 0.27 1.55 0.00 0.00 175.35 175.69 2d8c n ASN 91 N 10.83 1.87 -3.44 1.43 0.23 -1.26 -5.07 115.26 119.85 2d8c n ASN 91 Ca 0.19 0.43 -0.08 0.00 -0.53 0.00 0.00 54.58 54.59 2d8c n ASN 91 Cb 0.49 -0.92 -0.00 0.00 -2.08 0.00 0.00 39.78 37.28 2d8c n ASN 91 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2d8c s SER 92 N -6.80 -0.14 0.07 0.53 1.04 -1.26 -5.13 113.70 102.01 2d8c s SER 92 Ca -0.29 -0.85 -0.31 0.00 0.48 0.00 0.00 55.95 54.99 2d8c s SER 92 Cb 0.07 0.78 -0.08 0.00 0.10 0.00 0.00 66.02 66.89 2d8c s SER 92 CO 0.52 -1.50 1.68 -0.83 0.98 0.00 0.00 173.24 174.09 2d8c s GLY 93 N -2.99 1.53 -0.02 7.32 0.00 -1.26 -4.92 107.32 106.97 2d8c s GLY 93 Ca 0.13 1.23 -0.25 0.00 0.00 0.00 0.00 44.72 45.82 2d8c s GLY 93 CO 0.09 2.94 1.23 -0.56 0.00 0.00 0.00 173.10 176.80 2d8c h PRO 94 N 8.46 -0.05 -6.20 2.90 0.13 -2.05 -3.46 132.00 131.73 2d8c h PRO 94 Ca -0.43 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.17 2d8c h PRO 94 Cb 1.20 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.27 2d8c h PRO 94 CO 0.93 0.42 -0.59 -1.54 -0.23 0.00 0.00 178.00 177.00 2d8c s SER 95 N -5.62 5.04 -0.26 1.44 1.04 -1.26 -5.01 113.70 109.06 2d8c s SER 95 Ca -0.16 -0.44 -0.01 0.00 0.48 0.00 0.00 55.95 55.82 2d8c s SER 95 Cb 0.02 -1.13 0.13 0.00 0.10 0.00 0.00 66.02 65.14 2d8c s SER 95 CO 0.65 -0.01 2.20 -1.54 0.98 0.00 0.00 173.24 175.51 2d8c n SER 96 N -1.00 6.21 0.00 7.02 3.41 -1.26 -5.23 113.62 122.76 2d8c n SER 96 Ca -0.07 -2.94 0.00 0.00 -0.26 0.00 0.00 58.87 55.60 2d8c n SER 96 Cb 0.58 -1.11 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 2d8c n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49