#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9f n VAL 2 N 0.00 1.56 -0.13 1.12 0.24 -1.26 -4.92 118.33 114.95 2k9f n VAL 2 Ca 0.00 -5.00 -0.01 0.00 -2.04 0.00 0.00 64.34 57.28 2k9f n VAL 2 Cb 0.00 -1.49 0.23 0.00 -1.47 0.00 0.00 33.84 31.11 2k9f n VAL 2 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2k9f h PRO 3 N 3.53 0.82 -0.46 7.34 0.13 -2.06 -2.01 132.00 139.29 2k9f h PRO 3 Ca 0.13 -0.13 -0.08 0.00 -0.87 0.00 0.00 66.00 65.05 2k9f h PRO 3 Cb 0.71 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.68 2k9f h PRO 3 CO 0.70 0.68 -0.06 1.12 -0.23 0.00 0.00 178.00 180.21 2k9f h HIS 4 N 0.80 0.85 -0.05 1.56 2.07 -2.00 -2.67 115.15 115.72 2k9f h HIS 4 Ca 0.19 -0.14 -0.12 0.00 -2.85 0.00 0.00 60.37 57.45 2k9f h HIS 4 Cb 0.17 -0.23 -0.01 0.00 2.57 0.00 0.00 27.41 29.91 2k9f h HIS 4 CO 0.01 0.82 -0.51 1.15 -3.07 0.00 0.00 177.93 176.34 2k9f h THR 5 N 0.72 1.36 -0.16 6.12 2.02 -1.85 -2.59 112.91 118.54 2k9f h THR 5 Ca 0.13 -1.75 -0.04 0.00 0.77 0.00 0.00 66.41 65.52 2k9f h THR 5 Cb 0.53 1.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.81 2k9f h THR 5 CO 0.03 0.51 -0.07 0.25 0.37 0.00 0.00 175.52 176.61 2k9f h LEU 6 N 0.11 0.23 -0.12 2.58 5.85 -1.03 -0.83 115.31 122.10 2k9f h LEU 6 Ca 0.00 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2k9f h LEU 6 Cb 0.93 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.90 2k9f h LEU 6 CO 0.07 0.33 -0.28 -1.20 -0.34 0.00 0.00 178.44 177.03 2k9f n SER 7 N -4.33 0.46 0.20 1.25 7.64 -1.01 -3.59 113.62 114.24 2k9f n SER 7 Ca -0.01 -0.24 0.08 0.00 1.01 0.00 0.00 58.87 59.71 2k9f n SER 7 Cb 0.22 0.01 0.25 0.00 -1.01 0.00 0.00 64.21 63.68 2k9f n SER 7 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2k9f h THR 8 N 0.28 0.49 -2.90 0.44 2.02 -0.80 -3.42 112.91 109.02 2k9f h THR 8 Ca 0.00 -1.44 -0.56 0.00 0.77 0.00 0.00 66.41 65.17 2k9f h THR 8 Cb 0.47 2.04 -0.04 0.00 -1.74 0.00 0.00 68.15 68.89 2k9f h THR 8 CO 0.00 0.25 0.97 -0.76 0.37 0.00 0.00 175.52 176.35 2k9f s LEU 9 N -6.48 4.09 0.06 2.58 2.01 -1.21 -4.96 118.68 114.77 2k9f s LEU 9 Ca 0.03 1.64 0.05 0.00 0.01 0.00 0.00 54.13 55.86 2k9f s LEU 9 Cb 0.08 -3.54 -0.04 0.00 0.01 0.00 0.00 46.19 42.70 2k9f s LEU 9 CO 0.68 -0.93 -0.06 -0.54 1.01 0.00 0.00 176.35 176.51 2k9f s LYS 10 N 3.89 2.40 1.18 1.70 1.02 -1.25 -0.25 119.74 128.41 2k9f s LYS 10 Ca 0.60 -0.86 -0.19 0.00 0.02 0.00 0.00 55.97 55.54 2k9f s LYS 10 Cb -0.22 -2.44 0.28 0.00 -0.52 0.00 0.00 37.83 34.93 2k9f s LYS 10 CO 0.20 0.55 1.14 0.95 -0.92 0.00 0.00 175.35 177.28 2k9f s THR 11 N -1.14 1.64 -0.34 2.17 -4.23 0.12 0.12 115.64 113.98 2k9f s THR 11 Ca 0.21 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 60.95 2k9f s THR 11 Cb -0.11 -2.56 0.24 0.00 1.34 0.00 0.00 72.50 71.41 2k9f s THR 11 CO 0.12 0.00 1.71 0.00 -0.54 0.00 0.00 174.62 175.91 2k9f n ALA 12 N -4.64 1.43 1.43 3.99 0.00 0.92 -0.44 120.51 123.20 2k9f n ALA 12 Ca 0.14 0.14 0.14 0.00 0.00 0.00 0.00 53.44 53.85 2k9f n ALA 12 Cb 0.60 -1.37 0.51 0.00 0.00 0.00 0.00 19.45 19.18 2k9f n ALA 12 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2k9f n ASP 13 N -2.29 1.15 -0.37 0.00 2.03 -1.26 -4.90 116.55 110.91 2k9f n ASP 13 Ca 0.01 -1.17 -0.05 0.00 0.52 0.00 0.00 54.79 54.10 2k9f n ASP 13 Cb 0.16 0.04 -0.02 0.00 -0.72 0.00 0.00 41.12 40.58 2k9f n ASP 13 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2k9f n ASN 14 N -0.29 -3.61 -4.65 1.67 5.15 0.42 -5.02 115.26 108.93 2k9f n ASN 14 Ca 0.16 0.12 -0.36 0.00 -0.60 0.00 0.00 54.58 53.91 2k9f n ASN 14 Cb 0.33 -1.54 -0.09 0.00 -0.53 0.00 0.00 39.78 37.95 2k9f n ASN 14 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 2k9f s ARG 15 N -2.36 4.05 0.31 1.20 3.52 -1.25 -4.76 118.95 119.65 2k9f s ARG 15 Ca 0.00 -0.29 -0.28 0.00 -0.13 0.00 0.00 55.73 55.04 2k9f s ARG 15 Cb 0.00 -3.44 -0.14 0.00 -1.56 0.00 0.00 34.95 29.81 2k9f s ARG 15 CO 0.00 0.13 1.01 -2.30 -0.81 0.00 0.00 175.30 173.33 2k9f n PRO 16 N 4.04 1.38 0.00 5.12 -0.02 -1.26 0.13 135.00 144.39 2k9f n PRO 16 Ca -0.16 0.49 0.07 0.00 -2.02 0.00 0.00 63.50 61.87 2k9f n PRO 16 Cb 0.52 -1.88 0.36 0.00 -0.02 0.00 0.00 33.50 32.48 2k9f n PRO 16 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k9f n ALA 17 N 0.13 1.89 0.21 3.55 0.00 0.65 -3.06 120.51 123.87 2k9f n ALA 17 Ca 0.09 -0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.60 2k9f n ALA 17 Cb 0.33 -1.21 0.75 0.00 0.00 0.00 0.00 19.45 19.32 2k9f n ALA 17 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2k9f h SER 18 N 0.00 0.00 0.38 0.00 0.02 -1.85 -0.95 113.55 111.15 2k9f h SER 18 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2k9f h SER 18 Cb 0.05 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 2k9f h SER 18 CO 0.00 0.00 -0.09 -0.37 -1.14 0.00 0.00 176.83 175.23 2k9f h VAL 19 N 0.00 0.46 0.00 2.27 -1.51 -1.92 -2.64 116.25 112.91 2k9f h VAL 19 Ca 0.00 -0.47 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 2k9f h VAL 19 Cb 0.00 1.32 0.00 0.00 -2.13 0.00 0.00 31.29 30.48 2k9f h VAL 19 CO 0.00 0.09 0.00 -1.22 -1.23 0.00 0.00 177.57 175.21 2k9f n TYR 20 N -3.55 0.00 -1.25 5.19 4.01 -0.40 -4.61 117.16 116.55 2k9f n TYR 20 Ca -0.02 -0.21 -0.04 0.00 -0.16 0.00 0.00 57.90 57.47 2k9f n TYR 20 Cb 0.22 -0.02 0.23 0.00 -0.31 0.00 0.00 39.34 39.46 2k9f n TYR 20 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2k9f n LEU 21 N -0.21 4.74 0.00 7.72 4.77 -0.98 -4.75 117.00 128.29 2k9f n LEU 21 Ca 0.00 -3.50 -0.14 0.00 -0.03 0.00 0.00 56.01 52.35 2k9f n LEU 21 Cb 0.11 -0.66 -0.04 0.00 -2.33 0.00 0.00 43.42 40.50 2k9f n LEU 21 CO 0.00 1.03 -0.09 0.29 -1.33 0.00 0.00 177.39 177.29 2k9f n LYS 22 N -0.85 0.85 -1.04 3.23 5.02 -1.21 -4.80 118.16 119.36 2k9f n LYS 22 Ca 0.35 -1.81 -0.01 0.00 -2.02 0.00 0.00 58.31 54.82 2k9f n LYS 22 Cb 1.15 0.90 -0.01 0.00 -0.02 0.00 0.00 35.03 37.06 2k9f n LYS 22 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2k9f n LYS 23 N -0.50 -1.07 -3.89 1.97 4.81 -1.26 -3.16 118.16 115.06 2k9f n LYS 23 Ca -0.04 0.35 -0.29 0.00 -0.87 0.00 0.00 58.31 57.46 2k9f n LYS 23 Cb 0.32 -4.20 0.03 0.00 0.02 0.00 0.00 35.03 31.20 2k9f n LYS 23 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2k9f n ASP 24 N -0.48 -4.30 -4.57 3.14 9.92 -1.26 -4.98 116.55 114.02 2k9f n ASP 24 Ca -0.01 -0.79 -0.34 0.00 -0.53 0.00 0.00 54.79 53.12 2k9f n ASP 24 Cb 0.29 -3.91 -0.11 0.00 -0.64 0.00 0.00 41.12 36.75 2k9f n ASP 24 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2k9f s LYS 25 N -6.54 2.84 0.05 -1.24 1.02 -1.19 -5.05 119.74 109.64 2k9f s LYS 25 Ca 0.57 -0.55 -0.34 0.00 0.02 0.00 0.00 55.97 55.67 2k9f s LYS 25 Cb -0.28 -2.62 -0.13 0.00 -0.52 0.00 0.00 37.83 34.28 2k9f s LYS 25 CO 0.83 0.62 1.71 -0.35 -0.92 0.00 0.00 175.35 177.24 2k9f n PRO 26 N 2.36 2.16 -3.51 -1.68 -0.04 -1.26 -4.75 135.00 128.28 2k9f n PRO 26 Ca -0.18 0.79 -0.39 0.00 -0.04 0.00 0.00 63.50 63.67 2k9f n PRO 26 Cb 0.53 -2.59 -0.10 0.00 -0.04 0.00 0.00 33.50 31.30 2k9f n PRO 26 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2k9f s THR 27 N 2.30 5.26 -0.45 0.52 2.01 -1.26 -0.98 115.64 123.04 2k9f s THR 27 Ca 0.85 0.10 -0.23 0.00 0.31 0.00 0.00 61.69 62.73 2k9f s THR 27 Cb -0.68 -3.66 0.03 0.00 0.01 0.00 0.00 72.50 68.19 2k9f s THR 27 CO 0.44 0.10 0.75 -0.22 -0.69 0.00 0.00 174.62 175.00 2k9f s LEU 28 N 1.85 4.31 -0.29 4.42 2.96 0.11 -4.46 118.68 127.57 2k9f s LEU 28 Ca 0.09 -0.17 -0.17 0.00 -0.22 0.00 0.00 54.13 53.66 2k9f s LEU 28 Cb -0.16 -2.91 -0.02 0.00 0.50 0.00 0.00 46.19 43.59 2k9f s LEU 28 CO 0.11 -0.88 0.48 -0.63 -1.32 0.00 0.00 176.35 174.10 2k9f s ILE 29 N 3.18 5.08 -0.10 6.68 1.01 -1.21 -0.87 121.20 134.96 2k9f s ILE 29 Ca 0.28 0.65 0.04 0.00 0.00 0.00 0.00 60.65 61.62 2k9f s ILE 29 Cb -0.13 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.51 2k9f s ILE 29 CO 0.22 0.02 -0.24 -0.75 0.00 0.00 0.00 174.94 174.19 2k9f s LYS 30 N 2.27 3.05 -0.14 2.79 2.20 -0.17 -1.06 119.74 128.68 2k9f s LYS 30 Ca 0.19 -0.88 -0.09 0.00 -0.36 0.00 0.00 55.97 54.83 2k9f s LYS 30 Cb -0.16 -2.31 -0.05 0.00 -1.51 0.00 0.00 37.83 33.80 2k9f s LYS 30 CO 0.11 0.17 0.17 -0.06 -0.36 0.00 0.00 175.35 175.38 2k9f s PHE 31 N 0.37 3.53 0.44 4.03 0.40 -0.58 -0.37 117.98 125.80 2k9f s PHE 31 Ca -0.18 0.50 0.01 0.00 -0.60 0.00 0.00 56.93 56.66 2k9f s PHE 31 Cb -0.18 -2.09 -0.00 0.00 0.51 0.00 0.00 43.02 41.26 2k9f s PHE 31 CO 0.08 0.52 0.03 -2.67 0.70 0.00 0.00 175.22 173.88 2k9f n TRP 32 N 2.69 0.84 -3.90 0.36 4.27 -1.09 -3.81 117.44 116.81 2k9f n TRP 32 Ca -0.17 -2.27 -0.11 0.00 -3.89 0.00 0.00 57.50 51.06 2k9f n TRP 32 Cb 0.53 -0.23 -0.11 0.00 -1.36 0.00 0.00 31.31 30.14 2k9f n TRP 32 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2k9f s ALA 33 N -2.83 -0.13 -0.11 -1.67 0.00 -1.26 -4.78 121.76 110.98 2k9f s ALA 33 Ca 0.04 -0.16 0.12 0.00 0.00 0.00 0.00 51.96 51.96 2k9f s ALA 33 Cb 0.00 0.04 -0.24 0.00 0.00 0.00 0.00 23.12 22.92 2k9f s ALA 33 CO 0.03 -0.13 0.41 0.43 0.00 0.00 0.00 175.76 176.50 2k9f n SER 34 N 2.07 0.76 -0.21 0.00 7.64 -1.26 -4.10 113.62 118.52 2k9f n SER 34 Ca -0.19 0.24 0.01 0.00 1.01 0.00 0.00 58.87 59.94 2k9f n SER 34 Cb 0.57 0.18 0.04 0.00 -1.01 0.00 0.00 64.21 63.99 2k9f n SER 34 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 2k9f n TRP 35 N -3.00 0.13 -4.75 1.43 4.27 -1.26 -4.75 117.44 109.50 2k9f n TRP 35 Ca -0.25 -0.06 -0.32 0.00 -3.89 0.00 0.00 57.50 52.98 2k9f n TRP 35 Cb 1.08 -0.01 -0.17 0.00 -1.36 0.00 0.00 31.31 30.85 2k9f n TRP 35 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2k9f h PRO 37 N 7.22 0.49 -0.21 0.00 0.13 -1.91 -2.85 132.00 134.88 2k9f h PRO 37 Ca -0.30 -0.30 -0.02 0.00 -0.87 0.00 0.00 66.00 64.51 2k9f h PRO 37 Cb 1.20 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2k9f h PRO 37 CO 0.54 0.89 0.05 -0.07 -0.23 0.00 0.00 178.00 179.19 2k9f h LEU 38 N 0.39 0.32 -1.58 1.56 3.38 -1.96 -2.50 115.31 114.92 2k9f h LEU 38 Ca 0.01 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 2k9f h LEU 38 Cb 1.04 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 2k9f h LEU 38 CO 0.09 0.47 -0.00 0.00 0.09 0.00 0.00 178.44 179.09 2k9f h LEU 40 N 0.00 0.85 -0.73 0.00 5.85 -1.20 -2.89 115.31 117.19 2k9f h LEU 40 Ca -0.00 -0.44 -0.13 0.00 0.84 0.00 0.00 57.88 58.15 2k9f h LEU 40 Cb 0.48 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2k9f h LEU 40 CO 0.00 1.10 -0.54 0.28 -0.34 0.00 0.00 178.44 178.94 2k9f h SER 41 N 0.60 0.29 0.26 1.25 0.02 -1.34 -2.81 113.55 111.81 2k9f h SER 41 Ca 0.07 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 2k9f h SER 41 Cb 0.83 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.28 2k9f h SER 41 CO 0.07 0.77 -0.05 -0.08 -1.14 0.00 0.00 176.83 176.40 2k9f h GLU 42 N 0.20 0.00 -0.70 3.45 4.22 -1.35 -1.90 114.58 118.50 2k9f h GLU 42 Ca 0.00 0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.46 2k9f h GLU 42 Cb 1.02 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.23 2k9f h GLU 42 CO 0.08 0.05 0.46 -0.07 -2.18 0.00 0.00 179.01 177.36 2k9f h LEU 43 N 0.00 0.77 -0.72 1.64 3.38 -1.29 0.33 115.31 119.41 2k9f h LEU 43 Ca -0.00 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 2k9f h LEU 43 Cb 0.20 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2k9f h LEU 43 CO 0.01 0.54 -0.23 1.23 0.09 0.00 0.00 178.44 180.08 2k9f h GLY 44 N 0.90 0.79 1.48 0.83 0.00 -1.50 -1.76 103.07 103.80 2k9f h GLY 44 Ca 0.26 -0.67 -0.15 0.00 0.00 0.00 0.00 47.33 46.77 2k9f h GLY 44 CO -0.07 0.61 -0.47 -1.61 0.00 0.00 0.00 176.54 175.01 2k9f h GLN 45 N 0.63 0.56 -0.75 4.80 4.15 -1.24 -2.73 115.11 120.53 2k9f h GLN 45 Ca 0.09 -0.31 -0.02 0.00 0.77 0.00 0.00 58.65 59.17 2k9f h GLN 45 Cb 0.73 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.41 2k9f h GLN 45 CO 0.06 0.91 0.39 1.15 -1.93 0.00 0.00 178.83 179.41 2k9f h THR 46 N 0.44 1.23 -0.84 2.39 2.02 -0.07 -1.07 112.91 117.01 2k9f h THR 46 Ca 0.02 -0.60 -0.02 0.00 0.77 0.00 0.00 66.41 66.58 2k9f h THR 46 Cb 0.99 0.26 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 2k9f h THR 46 CO 0.09 0.26 0.46 -0.08 0.37 0.00 0.00 175.52 176.62 2k9f h GLU 47 N 1.04 1.17 -0.48 6.66 4.81 -1.16 0.25 114.58 126.87 2k9f h GLU 47 Ca 0.26 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 2k9f h GLU 47 Cb 0.06 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 2k9f h GLU 47 CO -0.04 0.86 0.20 -0.22 -0.73 0.00 0.00 179.01 179.07 2k9f h LYS 48 N 1.17 0.71 -0.16 1.92 1.63 -1.10 -2.52 116.57 118.22 2k9f h LYS 48 Ca 0.29 -0.12 -0.11 0.00 -0.85 0.00 0.00 60.65 59.86 2k9f h LYS 48 Cb 0.03 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.53 2k9f h LYS 48 CO -0.05 0.63 -0.36 -1.49 -3.45 0.00 0.00 179.45 174.73 2k9f h TRP 49 N 0.63 0.40 0.00 1.91 6.55 -0.60 -2.11 115.95 122.74 2k9f h TRP 49 Ca 0.16 -0.10 0.00 0.00 0.95 0.00 0.00 58.89 59.90 2k9f h TRP 49 Cb 0.18 -0.09 0.00 0.00 -0.86 0.00 0.00 29.16 28.39 2k9f h TRP 49 CO 0.00 0.67 0.00 0.00 -1.05 0.00 0.00 178.44 178.06 2k9f n ALA 50 N -2.48 2.13 -0.77 1.49 0.00 0.84 -1.67 120.51 120.04 2k9f n ALA 50 Ca -0.01 -0.11 0.04 0.00 0.00 0.00 0.00 53.44 53.36 2k9f n ALA 50 Cb 0.46 -1.31 0.05 0.00 0.00 0.00 0.00 19.45 18.65 2k9f n ALA 50 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2k9f n GLN 51 N -1.14 1.60 -3.15 0.00 1.13 -0.84 -4.96 117.38 110.02 2k9f n GLN 51 Ca 0.12 -1.68 -0.38 0.00 -1.94 0.00 0.00 57.00 53.12 2k9f n GLN 51 Cb 0.11 -1.04 -0.06 0.00 0.11 0.00 0.00 30.24 29.35 2k9f n GLN 51 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2k9f s ASP 52 N -1.53 7.16 0.21 1.08 -1.08 -0.67 -4.99 116.67 116.86 2k9f s ASP 52 Ca 0.11 1.41 -0.07 0.00 -0.52 0.00 0.00 52.55 53.48 2k9f s ASP 52 Cb 0.10 -2.41 0.16 0.00 -1.46 0.00 0.00 42.92 39.31 2k9f s ASP 52 CO 0.01 0.21 1.76 0.00 0.52 0.00 0.00 175.17 177.67 2k9f h ALA 53 N 4.25 1.02 0.02 3.66 0.00 -1.92 -1.72 119.26 124.57 2k9f h ALA 53 Ca -0.48 -0.22 -0.25 0.00 0.00 0.00 0.00 54.91 53.95 2k9f h ALA 53 Cb 1.21 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.72 2k9f h ALA 53 CO 0.65 0.66 -1.04 0.87 0.00 0.00 0.00 179.25 180.39 2k9f h LYS 54 N 1.11 0.54 0.00 0.00 1.79 -1.94 -3.11 116.57 114.96 2k9f h LYS 54 Ca 0.24 -0.61 0.00 0.00 -2.18 0.00 0.00 60.65 58.10 2k9f h LYS 54 Cb 0.29 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 2k9f h LYS 54 CO -0.01 1.23 0.00 0.74 -1.08 0.00 0.00 179.45 180.33 2k9f h PHE 55 N 0.29 0.00 0.00 -1.35 -1.00 -1.79 -2.79 116.94 110.30 2k9f h PHE 55 Ca -0.12 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.66 2k9f h PHE 55 Cb 1.69 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.25 2k9f h PHE 55 CO 0.08 0.00 0.00 0.45 -1.61 0.00 0.00 178.31 177.23 2k9f n SER 56 N -2.45 0.00 0.22 2.17 2.88 -0.66 -2.51 113.62 113.27 2k9f n SER 56 Ca 0.02 -0.58 0.11 0.00 -1.33 0.00 0.00 58.87 57.09 2k9f n SER 56 Cb 0.27 -0.01 0.34 0.00 -0.75 0.00 0.00 64.21 64.05 2k9f n SER 56 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2k9f h SER 57 N 0.00 0.00 -3.63 -3.46 0.02 -1.68 -3.45 113.55 101.35 2k9f h SER 57 Ca 0.00 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.52 2k9f h SER 57 Cb 0.01 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.41 2k9f h SER 57 CO 0.00 0.16 -0.62 0.00 -1.14 0.00 0.00 176.83 175.23 2k9f s ALA 58 N -3.39 2.12 -0.61 3.77 0.00 -1.04 -4.77 121.76 117.84 2k9f s ALA 58 Ca 0.03 -1.96 -0.15 0.00 0.00 0.00 0.00 51.96 49.88 2k9f s ALA 58 Cb 0.08 0.70 0.15 0.00 0.00 0.00 0.00 23.12 24.05 2k9f s ALA 58 CO 0.65 -0.32 0.57 -0.80 0.00 0.00 0.00 175.76 175.85 2k9f s ASN 59 N -3.42 6.33 -0.02 0.00 0.01 -0.15 -4.93 114.94 112.77 2k9f s ASN 59 Ca 0.35 -2.02 -0.27 0.00 -0.71 0.00 0.00 52.86 50.22 2k9f s ASN 59 Cb 0.08 -2.21 -0.04 0.00 0.41 0.00 0.00 41.25 39.49 2k9f s ASN 59 CO 0.14 -0.79 0.84 -0.22 -1.51 0.00 0.00 177.10 175.56 2k9f s LEU 60 N 1.24 4.37 0.03 0.60 2.96 -1.26 0.04 118.68 126.65 2k9f s LEU 60 Ca 0.07 1.45 0.02 0.00 -0.22 0.00 0.00 54.13 55.45 2k9f s LEU 60 Cb -0.25 -3.33 -0.02 0.00 0.50 0.00 0.00 46.19 43.09 2k9f s LEU 60 CO -0.00 -0.16 -0.07 0.27 -1.32 0.00 0.00 176.35 175.07 2k9f s ILE 61 N 0.74 0.51 -0.40 6.68 -4.36 -0.05 -4.82 121.20 119.49 2k9f s ILE 61 Ca 0.44 -0.80 -0.09 0.00 -0.26 0.00 0.00 60.65 59.94 2k9f s ILE 61 Cb -0.20 -0.53 0.07 0.00 1.25 0.00 0.00 42.46 43.05 2k9f s ILE 61 CO 0.23 -0.22 0.23 0.42 0.24 0.00 0.00 174.94 175.85 2k9f s THR 62 N -0.97 4.18 0.01 8.37 -4.23 -0.44 -0.99 115.64 121.56 2k9f s THR 62 Ca -0.06 -1.32 -0.00 0.00 -1.18 0.00 0.00 61.69 59.12 2k9f s THR 62 Cb -0.07 -3.52 -0.04 0.00 1.34 0.00 0.00 72.50 70.21 2k9f s THR 62 CO 0.00 -0.44 0.11 -0.69 -0.54 0.00 0.00 174.62 173.06 2k9f s VAL 63 N 1.43 4.89 -0.01 2.29 1.01 0.50 0.05 120.40 130.57 2k9f s VAL 63 Ca 0.02 -0.40 -0.05 0.00 0.00 0.00 0.00 61.98 61.55 2k9f s VAL 63 Cb -0.22 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.89 2k9f s VAL 63 CO 0.02 0.30 0.10 0.00 0.00 0.00 0.00 175.10 175.53 2k9f s ALA 64 N -1.27 -0.24 -0.51 5.51 0.00 -0.77 -2.67 121.76 121.81 2k9f s ALA 64 Ca 0.25 -0.03 -0.09 0.00 0.00 0.00 0.00 51.96 52.09 2k9f s ALA 64 Cb -0.12 0.00 0.13 0.00 0.00 0.00 0.00 23.12 23.13 2k9f s ALA 64 CO 0.17 -0.14 0.39 -1.12 0.00 0.00 0.00 175.76 175.05 2k9f s SER 65 N -0.86 5.76 0.10 0.00 0.01 -1.26 -0.82 113.70 116.64 2k9f s SER 65 Ca -0.09 -2.03 -0.31 0.00 1.31 0.00 0.00 55.95 54.83 2k9f s SER 65 Cb -0.05 -2.02 -0.10 0.00 0.21 0.00 0.00 66.02 64.05 2k9f s SER 65 CO 0.01 -0.67 1.89 -0.81 0.41 0.00 0.00 173.24 174.07 2k9f n PRO 66 N 4.76 2.86 0.00 12.44 -0.04 -1.23 -1.59 135.00 152.20 2k9f n PRO 66 Ca -0.06 1.04 0.00 0.00 -0.04 0.00 0.00 63.50 64.45 2k9f n PRO 66 Cb 0.41 -2.96 0.00 0.00 -0.04 0.00 0.00 33.50 30.90 2k9f n PRO 66 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k9f n GLY 67 N 4.36 2.00 3.83 0.55 0.00 -0.95 -3.77 105.19 111.21 2k9f n GLY 67 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 2k9f n GLY 67 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k9f s PHE 68 N -2.33 3.69 -1.48 1.61 5.36 -0.62 -4.21 117.98 119.99 2k9f s PHE 68 Ca 0.00 0.90 -0.06 0.00 -0.96 0.00 0.00 56.93 56.81 2k9f s PHE 68 Cb 0.00 -2.25 0.02 0.00 -0.34 0.00 0.00 43.02 40.46 2k9f s PHE 68 CO 0.00 0.62 0.61 -0.11 -1.46 0.00 0.00 175.22 174.88 2k9f n LEU 69 N 2.01 -2.42 -0.97 6.12 -0.00 -1.26 -1.39 117.00 119.09 2k9f n LEU 69 Ca -0.14 -0.33 -0.12 0.00 -0.00 0.00 0.00 56.01 55.41 2k9f n LEU 69 Cb 0.53 -2.76 -0.05 0.00 -0.00 0.00 0.00 43.42 41.14 2k9f n LEU 69 CO 0.37 0.24 -0.12 1.41 -0.00 0.00 0.00 177.39 179.28 2k9f n HIS 70 N -4.39 -0.04 -1.50 1.96 8.25 -1.26 -5.01 115.22 113.22 2k9f n HIS 70 Ca -0.08 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.11 2k9f n HIS 70 Cb 0.60 -2.28 0.21 0.00 1.12 0.00 0.00 29.99 29.63 2k9f n HIS 70 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2k9f n GLU 71 N -2.61 -1.96 -2.04 -0.41 -0.58 -0.48 -4.95 120.64 107.61 2k9f n GLU 71 Ca -0.12 -1.78 -0.42 0.00 -0.42 0.00 0.00 57.16 54.41 2k9f n GLU 71 Cb 0.42 -1.37 -0.03 0.00 -0.57 0.00 0.00 31.44 29.89 2k9f n GLU 71 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2k9f s LYS 72 N -5.53 4.20 0.71 3.49 -0.14 -1.26 -3.66 119.74 117.55 2k9f s LYS 72 Ca 0.68 2.16 -0.14 0.00 -1.36 0.00 0.00 55.97 57.31 2k9f s LYS 72 Cb -0.04 -3.88 0.03 0.00 -1.68 0.00 0.00 37.83 32.27 2k9f s LYS 72 CO 0.50 -0.79 1.14 0.21 -0.76 0.00 0.00 175.35 175.65 2k9f s LYS 73 N 3.63 2.38 0.19 1.68 2.20 -1.26 -2.25 119.74 126.32 2k9f s LYS 73 Ca 0.72 1.51 -0.33 0.00 -0.36 0.00 0.00 55.97 57.51 2k9f s LYS 73 Cb -0.34 -1.89 -0.13 0.00 -1.51 0.00 0.00 37.83 33.97 2k9f s LYS 73 CO 0.29 -1.60 1.61 -3.47 -0.36 0.00 0.00 175.35 171.82 2k9f n ASP 74 N -2.77 3.42 0.00 1.43 2.03 -1.26 -1.73 116.55 117.67 2k9f n ASP 74 Ca 0.11 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.51 2k9f n ASP 74 Cb 0.51 -1.49 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 2k9f n ASP 74 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k9f n GLY 75 N 3.39 3.08 0.11 0.27 0.00 -1.26 -4.78 105.19 106.01 2k9f n GLY 75 Ca 0.16 -1.05 -0.14 0.00 0.00 0.00 0.00 46.02 44.98 2k9f n GLY 75 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k9f n ASP 76 N 0.36 1.10 0.00 1.61 2.03 -0.77 -4.20 116.55 116.67 2k9f n ASP 76 Ca 0.00 0.03 -0.10 0.00 0.52 0.00 0.00 54.79 55.25 2k9f n ASP 76 Cb 0.00 0.11 -0.04 0.00 -0.72 0.00 0.00 41.12 40.47 2k9f n ASP 76 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2k9f h PHE 77 N 0.01 -0.22 -0.51 -0.67 3.57 -1.54 -0.93 116.94 116.64 2k9f h PHE 77 Ca -0.51 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.00 2k9f h PHE 77 Cb 2.07 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 40.90 2k9f h PHE 77 CO 0.02 -0.14 0.29 -0.56 -2.23 0.00 0.00 178.31 175.69 2k9f h GLN 78 N -0.11 0.69 0.00 1.11 -0.00 -1.86 -1.49 115.11 113.46 2k9f h GLN 78 Ca 0.07 -0.06 -0.10 0.00 -0.00 0.00 0.00 58.65 58.56 2k9f h GLN 78 Cb 0.21 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.48 27.53 2k9f h GLN 78 CO -0.17 0.50 -0.47 0.87 -0.00 0.00 0.00 178.83 179.55 2k9f h LYS 79 N 0.70 0.00 -0.02 0.06 1.57 -1.58 -0.52 116.57 116.78 2k9f h LYS 79 Ca 0.18 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2k9f h LYS 79 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 2k9f h LYS 79 CO -0.03 0.47 0.01 2.35 -0.57 0.00 0.00 179.45 181.69 2k9f h TRP 80 N 0.00 0.03 -0.03 -1.35 2.91 -0.10 -2.15 115.95 115.27 2k9f h TRP 80 Ca -0.00 -0.00 -0.16 0.00 1.13 0.00 0.00 58.89 59.85 2k9f h TRP 80 Cb 0.90 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 29.52 2k9f h TRP 80 CO 0.00 0.07 -0.72 -0.92 -1.03 0.00 0.00 178.44 175.84 2k9f h TYR 81 N -0.01 0.22 0.00 2.65 3.20 -1.42 -2.98 116.97 118.64 2k9f h TYR 81 Ca 0.01 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.78 2k9f h TYR 81 Cb 0.05 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.28 2k9f h TYR 81 CO -0.06 0.83 0.00 0.00 -1.64 0.00 0.00 178.16 177.29 2k9f h ALA 82 N 1.14 1.00 -0.35 1.82 0.00 -0.81 -0.11 119.26 121.96 2k9f h ALA 82 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k9f h ALA 82 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2k9f h ALA 82 CO 0.11 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.77 2k9f n GLY 83 N -0.80 1.71 3.94 0.00 0.00 -0.83 -4.98 105.19 104.23 2k9f n GLY 83 Ca -0.02 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 2k9f n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k9f s LEU 84 N -1.22 2.91 0.00 0.99 1.43 -0.05 -5.09 118.68 117.64 2k9f s LEU 84 Ca 0.31 -1.06 0.00 0.00 -1.03 0.00 0.00 54.13 52.35 2k9f s LEU 84 Cb 0.18 -1.43 0.00 0.00 0.03 0.00 0.00 46.19 44.97 2k9f s LEU 84 CO 0.25 -1.12 0.00 -3.20 0.23 0.00 0.00 176.35 172.51 2k9f n ASN 85 N -1.88 0.00 -2.51 2.29 5.15 -1.26 -4.93 115.26 112.12 2k9f n ASN 85 Ca 0.04 -0.27 -0.05 0.00 -0.60 0.00 0.00 54.58 53.71 2k9f n ASN 85 Cb 0.63 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.89 2k9f n ASN 85 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2k9f n TYR 86 N -0.29 -2.49 1.55 1.20 4.01 -1.26 -4.90 117.16 114.98 2k9f n TYR 86 Ca 0.00 0.99 0.13 0.00 -0.16 0.00 0.00 57.90 58.86 2k9f n TYR 86 Cb 0.00 -3.40 0.74 0.00 -0.31 0.00 0.00 39.34 36.38 2k9f n TYR 86 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2k9f n PRO 87 N -0.56 0.75 -0.38 -0.72 -0.04 -1.26 -2.72 135.00 130.06 2k9f n PRO 87 Ca 0.07 0.01 0.11 0.00 -0.04 0.00 0.00 63.50 63.65 2k9f n PRO 87 Cb 0.36 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.64 2k9f n PRO 87 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k9f n LYS 88 N -1.03 2.86 -2.87 0.54 4.76 -1.26 -4.91 118.16 116.25 2k9f n LYS 88 Ca 0.18 -2.65 -0.43 0.00 -2.87 0.00 0.00 58.31 52.55 2k9f n LYS 88 Cb 0.10 -1.58 -0.04 0.00 -1.84 0.00 0.00 35.03 31.66 2k9f n LYS 88 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2k9f s LEU 89 N -1.10 4.06 -1.50 -0.35 1.43 -1.10 -4.89 118.68 115.23 2k9f s LEU 89 Ca 0.47 0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 53.76 2k9f s LEU 89 Cb 0.25 -3.15 -0.05 0.00 0.03 0.00 0.00 46.19 43.28 2k9f s LEU 89 CO 0.31 -0.89 2.64 -0.81 0.23 0.00 0.00 176.35 177.83 2k9f n PRO 90 N 6.80 3.25 -2.32 1.29 -0.04 -1.26 -4.92 135.00 137.79 2k9f n PRO 90 Ca 0.05 -2.26 -0.43 0.00 -0.04 0.00 0.00 63.50 60.83 2k9f n PRO 90 Cb 0.48 -2.93 -0.02 0.00 -0.04 0.00 0.00 33.50 30.99 2k9f n PRO 90 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2k9f s VAL 91 N 2.68 4.06 -0.11 0.52 1.01 -1.25 -1.33 120.40 125.97 2k9f s VAL 91 Ca 0.60 1.24 -0.05 0.00 0.00 0.00 0.00 61.98 63.78 2k9f s VAL 91 Cb 0.16 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2k9f s VAL 91 CO -0.06 -0.24 0.07 -0.69 0.00 0.00 0.00 175.10 174.18 2k9f s VAL 92 N 4.07 4.93 -0.46 2.92 1.01 0.11 -0.05 120.40 132.93 2k9f s VAL 92 Ca 0.60 -0.01 -0.17 0.00 0.00 0.00 0.00 61.98 62.41 2k9f s VAL 92 Cb -0.22 -3.13 0.05 0.00 0.00 0.00 0.00 36.38 33.08 2k9f s VAL 92 CO 0.21 0.60 0.45 -0.89 0.00 0.00 0.00 175.10 175.47 2k9f s THR 93 N -0.83 5.11 -0.94 3.92 2.01 0.12 -1.86 115.64 123.18 2k9f s THR 93 Ca 0.13 -0.69 -0.09 0.00 0.31 0.00 0.00 61.69 61.36 2k9f s THR 93 Cb -0.12 -4.12 0.24 0.00 0.01 0.00 0.00 72.50 68.51 2k9f s THR 93 CO 0.03 -0.56 0.88 -0.62 -0.69 0.00 0.00 174.62 173.65 2k9f s ASP 94 N 2.31 6.70 -0.09 3.53 2.15 -0.00 -3.96 116.67 127.30 2k9f s ASP 94 Ca 0.09 -3.27 -0.29 0.00 0.43 0.00 0.00 52.55 49.51 2k9f s ASP 94 Cb -0.20 -2.12 -0.06 0.00 -0.30 0.00 0.00 42.92 40.24 2k9f s ASP 94 CO 0.10 -0.36 1.87 0.21 -0.17 0.00 0.00 175.17 176.81 2k9f s ASN 95 N 1.25 6.29 0.00 -0.34 3.84 -1.26 -1.80 114.94 122.92 2k9f s ASN 95 Ca 0.25 2.18 0.00 0.00 0.21 0.00 0.00 52.86 55.49 2k9f s ASN 95 Cb -0.11 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.07 2k9f s ASN 95 CO -0.09 -1.25 0.00 0.61 -2.79 0.00 0.00 177.10 173.58 2k9f n GLY 96 N 4.72 3.32 1.00 1.21 0.00 -1.25 -4.37 105.19 109.82 2k9f n GLY 96 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2k9f n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k9f n GLY 97 N -2.00 0.48 0.29 -0.02 0.00 -0.74 -4.85 105.19 98.34 2k9f n GLY 97 Ca 0.00 -0.45 -0.06 0.00 0.00 0.00 0.00 46.02 45.51 2k9f n GLY 97 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2k9f h THR 98 N 0.00 1.23 0.22 2.61 2.02 -1.78 0.25 112.91 117.45 2k9f h THR 98 Ca 0.00 -0.65 -0.34 0.00 0.77 0.00 0.00 66.41 66.19 2k9f h THR 98 Cb 0.96 0.41 0.02 0.00 -1.74 0.00 0.00 68.15 67.81 2k9f h THR 98 CO 0.00 0.27 -1.61 0.40 0.37 0.00 0.00 175.52 174.95 2k9f h ILE 99 N 0.94 1.10 -0.47 3.11 1.08 -1.93 -2.88 117.51 118.45 2k9f h ILE 99 Ca 0.23 -2.59 -0.00 0.00 -0.39 0.00 0.00 64.86 62.11 2k9f h ILE 99 Cb 0.13 2.90 -0.02 0.00 -3.07 0.00 0.00 36.82 36.76 2k9f h ILE 99 CO -0.03 0.83 0.29 0.00 -0.69 0.00 0.00 178.15 178.56 2k9f h ALA 100 N 0.12 0.60 -0.00 1.87 0.00 -1.92 -1.69 119.26 118.25 2k9f h ALA 100 Ca -0.30 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.43 2k9f h ALA 100 Cb 2.12 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.70 2k9f h ALA 100 CO 0.22 0.08 -0.60 0.37 0.00 0.00 0.00 179.25 179.32 2k9f h GLN 101 N 0.63 0.00 -0.54 0.00 4.15 -0.64 0.18 115.11 118.90 2k9f h GLN 101 Ca 0.17 -0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.50 2k9f h GLN 101 Cb -0.03 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 2k9f h GLN 101 CO -0.03 0.60 -0.01 1.03 -1.93 0.00 0.00 178.83 178.49 2k9f h SER 102 N 0.00 0.91 -0.54 -0.69 0.87 -1.19 -2.66 113.55 110.25 2k9f h SER 102 Ca -0.01 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2k9f h SER 102 Cb 1.06 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 2k9f h SER 102 CO 0.08 0.98 0.00 0.18 -0.53 0.00 0.00 176.83 177.54 2k9f n LEU 103 N -4.19 3.71 -3.63 2.23 4.77 -0.69 -4.98 117.00 114.22 2k9f n LEU 103 Ca 0.03 -1.72 -0.29 0.00 -0.03 0.00 0.00 56.01 54.00 2k9f n LEU 103 Cb 0.33 -0.36 0.04 0.00 -2.33 0.00 0.00 43.42 41.11 2k9f n LEU 103 CO 0.43 0.86 -0.05 -3.20 -1.33 0.00 0.00 177.39 174.10 2k9f n ASN 104 N 1.58 -5.53 -4.47 -1.43 5.15 -0.26 -4.89 115.26 105.41 2k9f n ASN 104 Ca 0.22 -0.95 -0.43 0.00 -0.60 0.00 0.00 54.58 52.82 2k9f n ASN 104 Cb 0.62 -3.49 -0.04 0.00 -0.53 0.00 0.00 39.78 36.34 2k9f n ASN 104 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2k9f s ILE 105 N -3.41 4.29 -1.15 -1.44 1.01 0.48 -4.80 121.20 116.18 2k9f s ILE 105 Ca 0.43 -0.44 0.12 0.00 0.00 0.00 0.00 60.65 60.77 2k9f s ILE 105 Cb -0.15 -4.73 0.32 0.00 0.01 0.00 0.00 42.46 37.91 2k9f s ILE 105 CO 0.85 -1.52 1.24 -1.20 0.00 0.00 0.00 174.94 174.31 2k9f n SER 106 N 7.79 2.94 -3.78 3.58 7.64 -1.26 -4.89 113.62 125.64 2k9f n SER 106 Ca 0.01 -1.94 -0.11 0.00 1.01 0.00 0.00 58.87 57.84 2k9f n SER 106 Cb 0.46 -0.23 -0.08 0.00 -1.01 0.00 0.00 64.21 63.35 2k9f n SER 106 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2k9f s VAL 107 N -1.01 0.09 0.09 0.44 0.11 -1.26 -5.18 120.40 113.68 2k9f s VAL 107 Ca 0.25 -0.71 0.05 0.00 -2.93 0.00 0.00 61.98 58.64 2k9f s VAL 107 Cb 0.14 -0.91 -0.03 0.00 -1.53 0.00 0.00 36.38 34.04 2k9f s VAL 107 CO 0.18 -0.39 -0.13 -0.31 -3.33 0.00 0.00 175.10 171.12 2k9f s TYR 108 N -2.47 1.21 0.61 1.54 2.02 -1.26 -4.30 117.35 114.70 2k9f s TYR 108 Ca -0.06 -0.54 -0.09 0.00 -0.37 0.00 0.00 57.07 56.02 2k9f s TYR 108 Cb -0.01 -0.66 -0.02 0.00 -0.40 0.00 0.00 41.96 40.86 2k9f s TYR 108 CO -0.03 0.06 0.98 -1.25 -1.57 0.00 0.00 175.55 173.74 2k9f s PRO 109 N -2.26 3.32 -0.06 -1.71 0.04 -1.25 -4.57 135.00 128.52 2k9f s PRO 109 Ca 0.03 0.46 0.03 0.00 0.04 0.00 0.00 61.00 61.56 2k9f s PRO 109 Cb -0.07 -2.15 0.01 0.00 0.04 0.00 0.00 34.50 32.33 2k9f s PRO 109 CO 0.02 -0.62 -0.14 -1.12 0.04 0.00 0.00 177.00 175.18 2k9f s SER 110 N -4.22 1.93 -0.14 6.66 0.01 -1.25 -2.40 113.70 114.28 2k9f s SER 110 Ca 0.54 -0.32 0.02 0.00 1.31 0.00 0.00 55.95 57.49 2k9f s SER 110 Cb -0.11 -0.80 0.01 0.00 0.21 0.00 0.00 66.02 65.32 2k9f s SER 110 CO 0.50 0.07 -0.20 0.26 0.41 0.00 0.00 173.24 174.28 2k9f s TRP 111 N 0.49 2.71 -0.34 2.43 0.52 0.06 -1.53 118.94 123.28 2k9f s TRP 111 Ca -0.12 -1.25 -0.10 0.00 0.02 0.00 0.00 56.10 54.65 2k9f s TRP 111 Cb -0.15 -1.84 0.01 0.00 -1.15 0.00 0.00 33.47 30.34 2k9f s TRP 111 CO 0.04 -0.57 0.17 0.00 0.02 0.00 0.00 176.95 176.61 2k9f s ALA 112 N 0.82 3.27 -0.62 0.98 0.00 -0.23 -0.60 121.76 125.38 2k9f s ALA 112 Ca -0.06 -1.54 -0.22 0.00 0.00 0.00 0.00 51.96 50.13 2k9f s ALA 112 Cb -0.15 -2.47 0.07 0.00 0.00 0.00 0.00 23.12 20.57 2k9f s ALA 112 CO -0.01 -1.12 0.89 -1.17 0.00 0.00 0.00 175.76 174.34 2k9f s LEU 113 N 1.58 4.57 -0.04 0.00 2.96 0.32 -3.36 118.68 124.71 2k9f s LEU 113 Ca 0.03 -0.99 -0.20 0.00 -0.22 0.00 0.00 54.13 52.75 2k9f s LEU 113 Cb -0.18 -2.45 -0.05 0.00 0.50 0.00 0.00 46.19 44.01 2k9f s LEU 113 CO 0.06 -1.32 0.58 -0.63 -1.32 0.00 0.00 176.35 173.72 2k9f s ILE 114 N 3.70 5.00 0.76 6.68 1.09 -1.26 -0.76 121.20 136.40 2k9f s ILE 114 Ca 0.21 1.20 -0.13 0.00 -1.10 0.00 0.00 60.65 60.83 2k9f s ILE 114 Cb -0.18 -3.92 0.18 0.00 -1.06 0.00 0.00 42.46 37.48 2k9f s ILE 114 CO 0.11 0.37 1.00 0.61 -0.10 0.00 0.00 174.94 176.93 2k9f n GLY 115 N 2.73 -1.51 0.04 6.18 0.00 0.12 -4.81 105.19 107.93 2k9f n GLY 115 Ca -0.06 -1.68 0.07 0.00 0.00 0.00 0.00 46.02 44.35 2k9f n GLY 115 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2k9f n LYS 116 N -3.20 0.05 0.00 1.61 2.85 -1.26 -1.68 118.16 116.53 2k9f n LYS 116 Ca 0.13 0.35 0.11 0.00 -1.05 0.00 0.00 58.31 57.85 2k9f n LYS 116 Cb 0.44 -1.62 0.03 0.00 -0.65 0.00 0.00 35.03 33.23 2k9f n LYS 116 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2k9f n ASP 117 N -1.72 1.22 0.00 -5.58 9.92 -1.26 -4.75 116.55 114.38 2k9f n ASP 117 Ca 0.02 -1.02 0.00 0.00 -0.53 0.00 0.00 54.79 53.26 2k9f n ASP 117 Cb 0.15 0.64 0.00 0.00 -0.64 0.00 0.00 41.12 41.27 2k9f n ASP 117 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k9f n GLY 118 N 1.46 0.44 3.89 0.44 0.00 -0.67 -5.07 105.19 105.69 2k9f n GLY 118 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 2k9f n GLY 118 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2k9f s ASP 119 N -2.48 6.43 -0.52 1.61 -4.77 -1.26 -4.74 116.67 110.94 2k9f s ASP 119 Ca 0.00 0.91 -0.28 0.00 -3.30 0.00 0.00 52.55 49.87 2k9f s ASP 119 Cb 0.00 -2.23 0.02 0.00 -1.09 0.00 0.00 42.92 39.62 2k9f s ASP 119 CO 0.00 -0.35 1.25 -0.69 0.70 0.00 0.00 175.17 176.08 2k9f s VAL 120 N -2.34 4.01 -0.02 2.11 1.01 -1.26 0.10 120.40 124.02 2k9f s VAL 120 Ca 0.47 0.96 -0.16 0.00 0.00 0.00 0.00 61.98 63.25 2k9f s VAL 120 Cb -0.10 -4.56 -0.33 0.00 0.00 0.00 0.00 36.38 31.39 2k9f s VAL 120 CO 0.34 -1.12 0.84 -0.61 0.00 0.00 0.00 175.10 174.55 2k9f h GLN 121 N 9.91 0.42 -3.70 2.72 4.15 -1.28 -3.47 115.11 123.86 2k9f h GLN 121 Ca -0.25 -0.72 -0.08 0.00 0.77 0.00 0.00 58.65 58.38 2k9f h GLN 121 Cb 1.07 0.27 -0.14 0.00 0.21 0.00 0.00 27.48 28.89 2k9f h GLN 121 CO 1.15 1.34 -0.29 0.50 -1.93 0.00 0.00 178.83 179.61 2k9f s ARG 122 N -2.54 0.90 0.00 1.69 6.06 -1.05 -5.05 118.95 118.97 2k9f s ARG 122 Ca -0.13 -0.89 0.01 0.00 -2.50 0.00 0.00 55.73 52.22 2k9f s ARG 122 Cb 0.04 0.38 -0.00 0.00 0.06 0.00 0.00 34.95 35.42 2k9f s ARG 122 CO 0.88 -0.31 -0.03 -1.50 -2.50 0.00 0.00 175.30 171.84 2k9f s ILE 123 N -3.85 0.21 -0.09 4.11 2.07 -1.26 -0.52 121.20 121.87 2k9f s ILE 123 Ca 0.04 -0.23 0.04 0.00 -1.41 0.00 0.00 60.65 59.09 2k9f s ILE 123 Cb 0.04 -0.20 0.00 0.00 0.13 0.00 0.00 42.46 42.43 2k9f s ILE 123 CO -0.11 -0.02 -0.21 -0.69 -1.91 0.00 0.00 174.94 172.00 2k9f s VAL 124 N -0.25 1.86 -0.07 4.00 1.01 0.23 -4.99 120.40 122.18 2k9f s VAL 124 Ca -0.01 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.07 2k9f s VAL 124 Cb -0.02 -1.62 0.02 0.00 0.00 0.00 0.00 36.38 34.76 2k9f s VAL 124 CO -0.00 0.51 -0.04 -0.54 0.00 0.00 0.00 175.10 175.03 2k9f s LYS 125 N 0.41 0.98 0.00 2.72 1.02 -1.26 -0.76 119.74 122.86 2k9f s LYS 125 Ca -0.18 -0.10 0.00 0.00 0.02 0.00 0.00 55.97 55.71 2k9f s LYS 125 Cb -0.18 -1.09 0.00 0.00 -0.52 0.00 0.00 37.83 36.05 2k9f s LYS 125 CO 0.08 -0.18 0.00 0.41 -0.92 0.00 0.00 175.35 174.74 2k9f n GLY 126 N 4.55 2.06 3.62 -3.33 0.00 -1.01 -5.03 105.19 106.06 2k9f n GLY 126 Ca -0.17 -0.51 -0.01 0.00 0.00 0.00 0.00 46.02 45.33 2k9f n GLY 126 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k9f s SER 127 N -0.96 -0.03 0.02 1.61 0.15 -1.26 -3.82 113.70 109.40 2k9f s SER 127 Ca 0.00 -0.01 -0.09 0.00 0.70 0.00 0.00 55.95 56.55 2k9f s SER 127 Cb 0.00 0.04 0.01 0.00 -1.71 0.00 0.00 66.02 64.35 2k9f s SER 127 CO 0.00 -0.06 0.19 0.27 1.20 0.00 0.00 173.24 174.84 2k9f s ILE 128 N -2.10 0.09 0.42 6.45 -4.36 -1.26 -5.10 121.20 115.34 2k9f s ILE 128 Ca 0.12 -0.76 0.07 0.00 -0.26 0.00 0.00 60.65 59.83 2k9f s ILE 128 Cb 0.01 -0.68 -0.03 0.00 1.25 0.00 0.00 42.46 43.01 2k9f s ILE 128 CO -0.03 -0.42 0.30 0.54 0.24 0.00 0.00 174.94 175.57 2k9f s ASN 129 N -1.70 4.77 0.22 4.36 2.20 -1.26 -5.01 114.94 118.51 2k9f s ASN 129 Ca -0.10 -0.91 -0.08 0.00 -0.94 0.00 0.00 52.86 50.82 2k9f s ASN 129 Cb -0.04 -0.48 0.27 0.00 -2.00 0.00 0.00 41.25 38.99 2k9f s ASN 129 CO -0.00 -0.63 1.81 -0.08 -2.94 0.00 0.00 177.10 175.25 2k9f h GLU 130 N 1.18 0.68 -0.43 3.55 4.81 -2.02 -1.54 114.58 120.81 2k9f h GLU 130 Ca -0.42 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 58.74 2k9f h GLU 130 Cb 1.26 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 2k9f h GLU 130 CO 0.63 0.45 0.13 0.00 -0.73 0.00 0.00 179.01 179.49 2k9f h ALA 131 N 1.37 1.44 -0.37 2.92 0.00 -1.99 -2.13 119.26 120.49 2k9f h ALA 131 Ca 0.32 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 2k9f h ALA 131 Cb 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2k9f h ALA 131 CO -0.20 0.42 -0.24 1.96 0.00 0.00 0.00 179.25 181.19 2k9f h GLN 132 N 0.61 0.74 -0.64 0.00 4.20 -1.67 0.31 115.11 118.66 2k9f h GLN 132 Ca 0.14 -0.30 -0.05 0.00 0.06 0.00 0.00 58.65 58.50 2k9f h GLN 132 Cb 0.18 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 2k9f h GLN 132 CO -0.01 0.91 0.21 0.00 -0.67 0.00 0.00 178.83 179.27 2k9f h ALA 133 N 1.09 0.84 -0.38 3.87 0.00 -0.75 0.11 119.26 124.03 2k9f h ALA 133 Ca 0.09 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 2k9f h ALA 133 Cb 0.74 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2k9f h ALA 133 CO 0.06 0.49 -0.31 -0.07 0.00 0.00 0.00 179.25 179.42 2k9f h LEU 134 N 0.92 0.93 -1.09 0.00 3.38 -1.19 -2.99 115.31 115.26 2k9f h LEU 134 Ca 0.21 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 2k9f h LEU 134 Cb 0.27 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2k9f h LEU 134 CO -0.01 1.18 0.16 0.00 0.09 0.00 0.00 178.44 179.86 2k9f h ALA 135 N 0.77 1.27 -0.48 1.53 0.00 -0.65 -1.99 119.26 119.72 2k9f h ALA 135 Ca 0.07 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 2k9f h ALA 135 Cb 0.89 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2k9f h ALA 135 CO 0.08 0.52 0.15 1.25 0.00 0.00 0.00 179.25 181.25 2k9f h LEU 136 N 0.78 0.64 -0.43 0.00 5.85 -0.86 0.33 115.31 121.62 2k9f h LEU 136 Ca 0.18 -0.09 -0.17 0.00 0.84 0.00 0.00 57.88 58.63 2k9f h LEU 136 Cb 0.25 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 2k9f h LEU 136 CO -0.01 0.61 -0.61 0.40 -0.34 0.00 0.00 178.44 178.50 2k9f h ILE 137 N 0.69 1.32 -0.09 4.05 2.04 -1.29 -3.04 117.51 121.19 2k9f h ILE 137 Ca 0.16 -1.87 -0.04 0.00 1.00 0.00 0.00 64.86 64.11 2k9f h ILE 137 Cb 0.20 1.84 -0.00 0.00 -0.74 0.00 0.00 36.82 38.12 2k9f h ILE 137 CO -0.01 0.58 -0.11 -0.09 0.00 0.00 0.00 178.15 178.52 2k9f h ARG 138 N 0.44 0.23 -2.13 2.37 2.43 -0.68 -3.44 114.38 113.60 2k9f h ARG 138 Ca -0.00 -0.13 -0.16 0.00 -0.81 0.00 0.00 59.98 58.87 2k9f h ARG 138 Cb 1.17 0.01 -0.30 0.00 -0.42 0.00 0.00 29.97 30.43 2k9f h ARG 138 CO 0.12 0.68 -0.48 0.34 -1.51 0.00 0.00 179.97 179.11 2k9f s ASP 139 N -6.01 0.29 0.00 -3.80 -1.08 0.11 -5.01 116.67 101.17 2k9f s ASP 139 Ca -0.15 0.32 0.12 0.00 -0.52 0.00 0.00 52.55 52.33 2k9f s ASP 139 Cb 0.04 1.04 0.57 0.00 -1.46 0.00 0.00 42.92 43.11 2k9f s ASP 139 CO 0.73 -0.29 1.32 -2.65 0.52 0.00 0.00 175.17 174.81 2k9f n PRO 140 N 5.36 0.11 0.00 4.34 -0.02 -1.15 -1.86 135.00 141.78 2k9f n PRO 140 Ca -0.05 0.22 0.13 0.00 -2.02 0.00 0.00 63.50 61.79 2k9f n PRO 140 Cb 0.50 -1.50 0.40 0.00 -0.02 0.00 0.00 33.50 32.88 2k9f n PRO 140 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2k9f n ASN 141 N -1.37 1.89 -4.52 2.55 3.02 -1.26 -4.71 115.26 110.87 2k9f n ASN 141 Ca 0.05 -1.61 -0.43 0.00 -0.03 0.00 0.00 54.58 52.56 2k9f n ASN 141 Cb 0.11 0.01 -0.01 0.00 -0.61 0.00 0.00 39.78 39.28 2k9f n ASN 141 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k9f s ALA 142 N -2.03 3.37 0.42 5.41 0.00 -0.78 -4.99 121.76 123.17 2k9f s ALA 142 Ca 0.34 -2.86 -0.23 0.00 0.00 0.00 0.00 51.96 49.22 2k9f s ALA 142 Cb 0.21 -4.37 -0.09 0.00 0.00 0.00 0.00 23.12 18.87 2k9f s ALA 142 CO 0.34 -3.17 1.03 0.34 0.00 0.00 0.00 175.76 174.30 2k9f s ASP 143 N 3.91 6.68 0.00 0.00 2.15 -1.26 -4.83 116.67 123.32 2k9f s ASP 143 Ca 0.45 1.97 0.00 0.00 0.43 0.00 0.00 52.55 55.41 2k9f s ASP 143 Cb -0.00 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 2k9f s ASP 143 CO -0.01 -0.55 0.00 0.00 -0.17 0.00 0.00 175.17 174.44