#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 0.15 0.14 1.12 0.24 -1.26 -4.93 118.33 113.79 2k9f n VAL 2 Ca 0.00 -4.59 0.02 0.00 -2.04 0.00 0.00 64.34 57.73 2k9f n VAL 2 Cb 0.00 -0.83 0.37 0.00 -1.47 0.00 0.00 33.84 31.91 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 3.27 0.16 -0.64 7.34 0.13 -1.99 -2.29 132.00 137.98 2k9f h PRO 3 Ca 0.10 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 65.11 2k9f h PRO 3 Cb 0.89 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.98 2k9f h PRO 3 CO 0.54 0.40 0.13 1.12 -0.23 0.00 0.00 178.00 179.95 2k9f h HIS 4 N 0.15 1.09 -0.44 1.56 2.07 -1.99 -2.14 115.15 115.46 2k9f h HIS 4 Ca 0.02 -0.14 -0.14 0.00 -2.85 0.00 0.00 60.37 57.27 2k9f h HIS 4 Cb 0.51 -0.30 -0.01 0.00 2.57 0.00 0.00 27.41 30.17 2k9f h HIS 4 CO 0.01 0.92 -0.26 1.15 -3.07 0.00 0.00 177.93 176.68 2k9f h THR 5 N 0.95 1.27 -0.28 6.12 2.02 -1.89 -1.35 112.91 119.76 2k9f h THR 5 Ca 0.20 -1.42 -0.00 0.00 0.77 0.00 0.00 66.41 65.95 2k9f h THR 5 Cb 0.40 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 2k9f h THR 5 CO 0.01 0.48 0.16 0.25 0.37 0.00 0.00 175.52 176.79 2k9f h LEU 6 N 0.79 0.33 0.00 2.58 5.85 -1.23 -0.01 115.31 123.61 2k9f h LEU 6 Ca 0.09 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2k9f h LEU 6 Cb 0.84 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.78 2k9f h LEU 6 CO 0.07 0.27 -0.35 0.28 -0.34 0.00 0.00 178.44 178.37 2k9f h SER 7 N 0.39 0.00 1.65 1.25 0.02 -1.06 -3.24 113.55 112.55 2k9f h SER 7 Ca 0.10 -0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 2k9f h SER 7 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2k9f h SER 7 CO -0.02 0.05 -0.35 0.74 -1.14 0.00 0.00 176.83 176.11 2k9f h THR 8 N 0.00 0.60 -2.16 -2.27 2.02 0.14 -3.42 112.91 107.82 2k9f h THR 8 Ca 0.00 -1.84 -0.55 0.00 0.77 0.00 0.00 66.41 64.80 2k9f h THR 8 Cb 0.80 2.29 -0.01 0.00 -1.74 0.00 0.00 68.15 69.48 2k9f h THR 8 CO 0.00 0.34 1.42 -0.76 0.37 0.00 0.00 175.52 176.89 2k9f s LEU 9 N -6.39 3.43 0.08 2.58 2.01 -0.92 -4.92 118.68 114.55 2k9f s LEU 9 Ca 0.05 1.29 -0.04 0.00 0.01 0.00 0.00 54.13 55.44 2k9f s LEU 9 Cb 0.07 -3.17 -0.05 0.00 0.01 0.00 0.00 46.19 43.05 2k9f s LEU 9 CO 0.72 -2.11 0.30 -0.54 1.01 0.00 0.00 176.35 175.73 2k9f s LYS 10 N 6.58 3.56 0.84 1.70 1.02 -1.26 -0.29 119.74 131.89 2k9f s LYS 10 Ca 0.88 -0.17 -0.12 0.00 0.02 0.00 0.00 55.97 56.58 2k9f s LYS 10 Cb -0.23 -2.97 0.12 0.00 -0.52 0.00 0.00 37.83 34.22 2k9f s LYS 10 CO 0.31 0.56 1.20 0.95 -0.92 0.00 0.00 175.35 177.45 2k9f s THR 11 N -1.50 2.04 -1.45 2.17 -4.23 0.12 -0.88 115.64 111.91 2k9f s THR 11 Ca 0.35 -0.06 0.13 0.00 -1.18 0.00 0.00 61.69 60.93 2k9f s THR 11 Cb -0.13 -2.98 0.23 0.00 1.34 0.00 0.00 72.50 70.95 2k9f s THR 11 CO 0.23 0.00 1.32 0.00 -0.54 0.00 0.00 174.62 175.62 2k9f n ALA 12 N -3.39 1.75 0.94 3.99 0.00 0.12 -1.03 120.51 122.90 2k9f n ALA 12 Ca 0.10 -0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.59 2k9f n ALA 12 Cb 0.60 -1.21 0.31 0.00 0.00 0.00 0.00 19.45 19.16 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 -1.28 2.19 -0.20 0.00 2.03 -1.26 -4.91 116.55 113.12 2k9f n ASP 13 Ca 0.06 -1.81 -0.03 0.00 0.52 0.00 0.00 54.79 53.53 2k9f n ASP 13 Cb 0.10 -0.16 -0.01 0.00 -0.72 0.00 0.00 41.12 40.33 2k9f n ASP 13 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2k9f n ASN 14 N 0.67 -3.98 -4.40 1.67 4.13 -0.19 -5.02 115.26 108.14 2k9f n ASN 14 Ca 0.17 0.06 -0.32 0.00 1.68 0.00 0.00 54.58 56.17 2k9f n ASN 14 Cb 0.41 -1.71 -0.14 0.00 -1.54 0.00 0.00 39.78 36.79 2k9f n ASN 14 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k9f s ARG 15 N -1.38 2.34 0.53 3.52 1.70 -1.25 -4.86 118.95 119.54 2k9f s ARG 15 Ca 0.00 -0.80 -0.22 0.00 -0.47 0.00 0.00 55.73 54.24 2k9f s ARG 15 Cb 0.00 -2.23 -0.06 0.00 -0.57 0.00 0.00 34.95 32.09 2k9f s ARG 15 CO 0.00 0.59 1.23 -0.35 -1.08 0.00 0.00 175.30 175.69 2k9f n PRO 16 N 2.39 1.51 0.00 3.89 -0.04 -1.26 0.12 135.00 141.61 2k9f n PRO 16 Ca -0.17 0.56 0.07 0.00 -0.04 0.00 0.00 63.50 63.92 2k9f n PRO 16 Cb 0.52 -2.42 0.41 0.00 -0.04 0.00 0.00 33.50 31.98 2k9f n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k9f n ALA 17 N -1.04 1.99 0.33 0.55 0.00 0.60 -3.16 120.51 119.79 2k9f n ALA 17 Ca 0.11 -0.09 0.21 0.00 0.00 0.00 0.00 53.44 53.67 2k9f n ALA 17 Cb 0.44 -1.23 1.14 0.00 0.00 0.00 0.00 19.45 19.80 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 -1.84 -0.23 113.55 111.89 2k9f h SER 18 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k9f h SER 18 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2k9f h SER 18 CO 0.00 0.00 0.00 1.33 -1.14 0.00 0.00 176.83 177.02 2k9f n VAL 19 N -3.20 1.02 -1.36 2.27 0.24 -1.19 -1.21 118.33 114.90 2k9f n VAL 19 Ca -0.03 0.45 0.07 0.00 -2.04 0.00 0.00 64.34 62.79 2k9f n VAL 19 Cb 0.10 -1.39 0.10 0.00 -1.47 0.00 0.00 33.84 31.18 2k9f n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2k9f n TYR 20 N -2.12 0.00 -2.42 6.34 4.01 -0.10 -4.72 117.16 118.14 2k9f n TYR 20 Ca 0.01 -0.74 -0.13 0.00 -0.16 0.00 0.00 57.90 56.88 2k9f n TYR 20 Cb 0.13 -0.13 0.03 0.00 -0.31 0.00 0.00 39.34 39.07 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 -1.02 3.31 0.00 7.72 4.77 -0.35 -4.79 117.00 126.65 2k9f n LEU 21 Ca 0.12 -3.93 -0.18 0.00 -0.03 0.00 0.00 56.01 51.99 2k9f n LEU 21 Cb 0.66 0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.74 2k9f n LEU 21 CO 0.00 1.60 -0.09 0.29 -1.33 0.00 0.00 177.39 177.86 2k9f n LYS 22 N -0.65 0.40 -1.08 3.23 5.02 -1.24 -4.87 118.16 118.97 2k9f n LYS 22 Ca 0.26 -2.92 -0.03 0.00 -2.02 0.00 0.00 58.31 53.60 2k9f n LYS 22 Cb 0.89 2.26 -0.01 0.00 -0.02 0.00 0.00 35.03 38.14 2k9f n LYS 22 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2k9f n LYS 23 N -0.59 -1.00 -2.31 1.97 5.02 -1.26 -3.07 118.16 116.92 2k9f n LYS 23 Ca 0.05 0.41 -0.19 0.00 -2.02 0.00 0.00 58.31 56.55 2k9f n LYS 23 Cb 0.53 -4.25 -0.02 0.00 -0.02 0.00 0.00 35.03 31.27 2k9f n LYS 23 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2k9f n ASP 24 N -0.36 -5.55 -4.82 4.39 9.92 -1.26 -4.97 116.55 113.90 2k9f n ASP 24 Ca -0.03 0.07 -0.38 0.00 -0.53 0.00 0.00 54.79 53.93 2k9f n ASP 24 Cb 0.29 -4.66 -0.06 0.00 -0.64 0.00 0.00 41.12 36.05 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 -4.88 3.91 0.40 -1.24 1.02 -1.17 -4.66 119.74 113.12 2k9f s LYS 25 Ca 0.00 0.30 -0.26 0.00 0.02 0.00 0.00 55.97 56.03 2k9f s LYS 25 Cb 0.00 -3.25 -0.10 0.00 -0.52 0.00 0.00 37.83 33.95 2k9f s LYS 25 CO 0.00 0.62 1.28 -0.35 -0.92 0.00 0.00 175.35 175.98 2k9f n PRO 26 N 2.17 2.01 -4.33 -1.68 -0.04 -1.26 -4.72 135.00 127.15 2k9f n PRO 26 Ca -0.14 0.71 -0.33 0.00 -0.04 0.00 0.00 63.50 63.70 2k9f n PRO 26 Cb 0.53 -2.38 -0.09 0.00 -0.04 0.00 0.00 33.50 31.52 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 -1.17 4.06 -0.29 0.52 2.01 -0.65 -0.16 115.64 119.96 2k9f s THR 27 Ca 0.59 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 62.01 2k9f s THR 27 Cb -0.52 -2.80 0.08 0.00 0.01 0.00 0.00 72.50 69.27 2k9f s THR 27 CO 0.59 0.40 0.01 -0.22 -0.69 0.00 0.00 174.62 174.71 2k9f s LEU 28 N -1.47 3.45 -0.29 4.42 2.96 0.62 0.22 118.68 128.60 2k9f s LEU 28 Ca 0.18 -1.66 -0.22 0.00 -0.22 0.00 0.00 54.13 52.21 2k9f s LEU 28 Cb -0.11 -1.34 -0.01 0.00 0.50 0.00 0.00 46.19 45.23 2k9f s LEU 28 CO 0.09 -0.32 0.71 -0.63 -1.32 0.00 0.00 176.35 174.88 2k9f s ILE 29 N 1.21 4.89 -0.27 6.68 1.01 0.29 -0.90 121.20 134.10 2k9f s ILE 29 Ca 0.03 1.12 -0.05 0.00 0.00 0.00 0.00 60.65 61.75 2k9f s ILE 29 Cb -0.19 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.24 2k9f s ILE 29 CO -0.10 -0.13 0.03 -0.75 0.00 0.00 0.00 174.94 173.98 2k9f s LYS 30 N 2.73 3.16 0.21 2.79 2.36 0.54 -0.10 119.74 131.44 2k9f s LYS 30 Ca 0.29 -0.79 -0.11 0.00 -2.55 0.00 0.00 55.97 52.80 2k9f s LYS 30 Cb -0.15 -3.23 -0.07 0.00 -1.05 0.00 0.00 37.83 33.33 2k9f s LYS 30 CO 0.11 -0.36 0.56 -0.06 1.55 0.00 0.00 175.35 177.14 2k9f s PHE 31 N 1.48 3.48 0.32 4.03 0.08 -0.54 -0.31 117.98 126.52 2k9f s PHE 31 Ca 0.03 0.95 -0.07 0.00 0.12 0.00 0.00 56.93 57.96 2k9f s PHE 31 Cb -0.16 -2.31 0.01 0.00 -0.57 0.00 0.00 43.02 39.99 2k9f s PHE 31 CO 0.00 0.32 0.51 1.67 -0.10 0.00 0.00 175.22 177.62 2k9f s TRP 32 N -1.70 0.74 0.06 0.36 1.48 -1.23 -4.10 118.94 114.54 2k9f s TRP 32 Ca 0.44 -1.07 0.07 0.00 -1.06 0.00 0.00 56.10 54.48 2k9f s TRP 32 Cb -0.12 0.11 -0.03 0.00 -1.16 0.00 0.00 33.47 32.27 2k9f s TRP 32 CO 0.20 -1.14 -0.18 0.00 -4.06 0.00 0.00 176.95 171.77 2k9f s ALA 33 N -3.25 1.56 -0.02 2.67 0.00 -1.26 -4.84 121.76 116.62 2k9f s ALA 33 Ca 0.26 -1.04 -0.11 0.00 0.00 0.00 0.00 51.96 51.07 2k9f s ALA 33 Cb -0.01 -0.25 -0.06 0.00 0.00 0.00 0.00 23.12 22.80 2k9f s ALA 33 CO 0.16 0.32 0.62 0.77 0.00 0.00 0.00 175.76 177.62 2k9f h SER 34 N 4.62 -0.33 -1.16 0.00 0.02 -2.01 -3.36 113.55 111.32 2k9f h SER 34 Ca -0.42 0.01 -0.73 0.00 -0.84 0.00 0.00 61.79 59.81 2k9f h SER 34 Cb 1.17 0.09 -0.13 0.00 0.14 0.00 0.00 62.40 63.67 2k9f h SER 34 CO 0.42 -0.07 2.26 -2.67 -1.14 0.00 0.00 176.83 175.63 2k9f n TRP 35 N -3.99 2.53 -3.88 3.45 -0.00 -1.26 -4.80 117.44 109.49 2k9f n TRP 35 Ca -0.05 -2.76 -0.22 0.00 -0.00 0.00 0.00 57.50 54.48 2k9f n TRP 35 Cb 0.15 -1.79 -0.17 0.00 -0.00 0.00 0.00 31.31 29.50 2k9f n TRP 35 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2k9f h PRO 37 N 7.94 0.11 0.25 0.00 0.11 -1.93 0.73 132.00 139.20 2k9f h PRO 37 Ca -0.26 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 2k9f h PRO 37 Cb 1.13 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 2k9f h PRO 37 CO 0.33 0.07 -0.14 -0.07 -0.21 0.00 0.00 178.00 177.99 2k9f h LEU 38 N 0.11 -0.34 -1.26 2.35 4.07 -1.98 -2.24 115.31 116.03 2k9f h LEU 38 Ca 0.12 0.02 -0.06 0.00 0.08 0.00 0.00 57.88 58.04 2k9f h LEU 38 Cb 0.14 0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 2k9f h LEU 38 CO -0.18 -0.23 -0.13 0.00 -1.08 0.00 0.00 178.44 176.83 2k9f h LEU 40 N 0.33 0.17 -0.85 0.00 5.85 -0.57 -1.32 115.31 118.92 2k9f h LEU 40 Ca 0.06 -0.11 -0.12 0.00 0.84 0.00 0.00 57.88 58.55 2k9f h LEU 40 Cb 0.43 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2k9f h LEU 40 CO 0.02 0.24 -0.47 0.28 -0.34 0.00 0.00 178.44 178.17 2k9f h SER 41 N 0.09 0.25 -0.37 1.25 0.02 -1.25 -2.90 113.55 110.64 2k9f h SER 41 Ca 0.05 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 2k9f h SER 41 Cb 0.11 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 2k9f h SER 41 CO -0.01 0.69 0.12 -0.08 -1.14 0.00 0.00 176.83 176.42 2k9f h GLU 42 N 0.19 0.65 -0.99 3.45 4.81 -0.92 -2.34 114.58 119.42 2k9f h GLU 42 Ca 0.01 -0.11 0.04 0.00 -0.13 0.00 0.00 59.36 59.17 2k9f h GLU 42 Cb 0.91 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 30.12 2k9f h GLU 42 CO 0.07 0.58 0.65 -0.07 -0.73 0.00 0.00 179.01 179.51 2k9f h LEU 43 N 0.63 1.08 -1.82 1.64 3.38 -1.03 0.13 115.31 119.33 2k9f h LEU 43 Ca 0.15 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2k9f h LEU 43 Cb 0.21 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2k9f h LEU 43 CO -0.01 0.74 -0.11 1.23 0.09 0.00 0.00 178.44 180.38 2k9f h GLY 44 N 1.26 0.00 1.22 0.83 0.00 -1.48 -1.72 103.07 103.19 2k9f h GLY 44 Ca 0.39 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.52 2k9f h GLY 44 CO -0.12 0.00 -1.35 -1.61 0.00 0.00 0.00 176.54 173.46 2k9f h GLN 45 N 0.00 0.00 -0.20 4.80 4.15 -1.19 -3.30 115.11 119.37 2k9f h GLN 45 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 2k9f h GLN 45 Cb 0.21 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 2k9f h GLN 45 CO 0.01 0.46 0.11 1.15 -1.93 0.00 0.00 178.83 178.64 2k9f h THR 46 N 0.00 1.09 -0.60 2.39 2.02 0.12 0.65 112.91 118.57 2k9f h THR 46 Ca -0.17 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 66.75 2k9f h THR 46 Cb 1.72 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 68.99 2k9f h THR 46 CO 0.07 0.09 0.22 -0.08 0.37 0.00 0.00 175.52 176.19 2k9f h GLU 47 N 0.23 0.89 -0.24 6.66 4.22 -1.61 0.37 114.58 125.09 2k9f h GLU 47 Ca 0.07 -0.15 -0.02 0.00 0.08 0.00 0.00 59.36 59.34 2k9f h GLU 47 Cb 0.04 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 2k9f h GLU 47 CO -0.01 0.74 0.08 -0.22 -2.18 0.00 0.00 179.01 177.42 2k9f h LYS 48 N 0.87 0.37 -0.59 1.92 3.64 -1.52 -2.60 116.57 118.66 2k9f h LYS 48 Ca 0.20 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 2k9f h LYS 48 Cb 0.20 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 2k9f h LYS 48 CO -0.02 0.44 0.24 -1.49 -2.27 0.00 0.00 179.45 176.36 2k9f h TRP 49 N 0.23 0.90 0.00 1.91 6.55 -0.49 -1.93 115.95 123.11 2k9f h TRP 49 Ca 0.08 -0.07 0.00 0.00 0.95 0.00 0.00 58.89 59.85 2k9f h TRP 49 Cb 0.22 -0.27 0.00 0.00 -0.86 0.00 0.00 29.16 28.25 2k9f h TRP 49 CO 0.00 0.72 0.00 0.00 -1.05 0.00 0.00 178.44 178.11 2k9f n ALA 50 N -2.36 1.72 -0.18 1.49 0.00 0.08 -1.39 120.51 119.87 2k9f n ALA 50 Ca 0.03 -0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.46 2k9f n ALA 50 Cb 0.16 -1.18 0.12 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.25 2.88 -3.57 0.00 1.13 -0.73 -4.85 117.38 111.00 2k9f n GLN 51 Ca 0.06 -1.95 -0.32 0.00 -1.94 0.00 0.00 57.00 52.84 2k9f n GLN 51 Cb 0.08 -1.23 -0.05 0.00 0.11 0.00 0.00 30.24 29.15 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 -1.08 6.57 0.43 1.08 -1.08 -0.48 -4.99 116.67 117.13 2k9f s ASP 52 Ca 0.18 0.74 0.11 0.00 -0.52 0.00 0.00 52.55 53.06 2k9f s ASP 52 Cb 0.10 -2.15 0.95 0.00 -1.46 0.00 0.00 42.92 40.36 2k9f s ASP 52 CO 0.11 0.05 2.02 0.00 0.52 0.00 0.00 175.17 177.87 2k9f h ALA 53 N 2.97 1.71 -0.23 3.66 0.00 -1.95 -2.50 119.26 122.93 2k9f h ALA 53 Ca -0.47 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.30 2k9f h ALA 53 Cb 1.17 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2k9f h ALA 53 CO 0.70 0.22 -0.01 0.87 0.00 0.00 0.00 179.25 181.03 2k9f h LYS 54 N 0.23 0.41 0.00 0.00 1.79 -1.94 -2.81 116.57 114.25 2k9f h LYS 54 Ca 0.06 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 2k9f h LYS 54 Cb 0.15 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 2k9f h LYS 54 CO 0.00 0.60 0.00 1.19 -1.08 0.00 0.00 179.45 180.16 2k9f n PHE 55 N -4.65 0.00 0.43 -1.35 3.01 -1.05 -2.85 117.46 111.00 2k9f n PHE 55 Ca -0.04 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.53 2k9f n PHE 55 Cb 0.25 -0.40 0.45 0.00 -0.01 0.00 0.00 39.48 39.76 2k9f n PHE 55 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2k9f n SER 56 N -1.40 0.50 0.23 4.37 7.64 -0.97 -2.22 113.62 121.78 2k9f n SER 56 Ca 0.08 0.62 0.11 0.00 1.01 0.00 0.00 58.87 60.69 2k9f n SER 56 Cb 0.22 -0.73 0.53 0.00 -1.01 0.00 0.00 64.21 63.22 2k9f n SER 56 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2k9f h SER 57 N 0.00 0.00 -2.24 6.43 0.02 -1.68 -3.45 113.55 112.63 2k9f h SER 57 Ca 0.00 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.36 2k9f h SER 57 Cb 0.34 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.75 2k9f h SER 57 CO 0.00 0.20 -0.53 0.00 -1.14 0.00 0.00 176.83 175.36 2k9f s ALA 58 N -3.77 3.21 -0.49 3.77 0.00 -0.94 -4.45 121.76 119.09 2k9f s ALA 58 Ca -0.00 -1.17 -0.07 0.00 0.00 0.00 0.00 51.96 50.71 2k9f s ALA 58 Cb 0.11 0.49 0.13 0.00 0.00 0.00 0.00 23.12 23.84 2k9f s ALA 58 CO 0.62 -0.23 0.34 -0.80 0.00 0.00 0.00 175.76 175.70 2k9f s ASN 59 N -3.68 5.60 -0.16 0.00 0.01 0.78 -4.97 114.94 112.52 2k9f s ASN 59 Ca 0.21 -2.07 -0.25 0.00 -0.71 0.00 0.00 52.86 50.04 2k9f s ASN 59 Cb 0.04 -1.96 -0.02 0.00 0.41 0.00 0.00 41.25 39.72 2k9f s ASN 59 CO 0.11 -0.62 0.83 -0.22 -1.51 0.00 0.00 177.10 175.69 2k9f s LEU 60 N 1.12 4.19 -0.01 0.60 0.20 -1.26 -0.28 118.68 123.24 2k9f s LEU 60 Ca 0.08 1.18 0.02 0.00 0.69 0.00 0.00 54.13 56.10 2k9f s LEU 60 Cb -0.24 -3.23 -0.00 0.00 -0.43 0.00 0.00 46.19 42.29 2k9f s LEU 60 CO -0.02 -0.38 -0.07 0.27 -0.29 0.00 0.00 176.35 175.87 2k9f s ILE 61 N 2.03 0.54 -0.44 6.68 -4.36 -0.08 -4.83 121.20 120.74 2k9f s ILE 61 Ca 0.38 -0.27 -0.20 0.00 -0.26 0.00 0.00 60.65 60.30 2k9f s ILE 61 Cb -0.17 -0.47 0.03 0.00 1.25 0.00 0.00 42.46 43.10 2k9f s ILE 61 CO 0.13 0.16 0.62 0.42 0.24 0.00 0.00 174.94 176.52 2k9f s THR 62 N -0.01 4.85 -0.09 8.37 -4.23 -0.67 -0.34 115.64 123.52 2k9f s THR 62 Ca 0.01 0.04 -0.00 0.00 -1.18 0.00 0.00 61.69 60.55 2k9f s THR 62 Cb -0.04 -4.20 -0.03 0.00 1.34 0.00 0.00 72.50 69.57 2k9f s THR 62 CO -0.00 -0.60 -0.06 -0.69 -0.54 0.00 0.00 174.62 172.73 2k9f s VAL 63 N 2.75 3.78 0.01 2.29 1.01 0.58 0.21 120.40 131.04 2k9f s VAL 63 Ca 0.21 -0.43 -0.00 0.00 0.00 0.00 0.00 61.98 61.76 2k9f s VAL 63 Cb -0.15 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.64 2k9f s VAL 63 CO 0.18 0.57 -0.02 0.00 0.00 0.00 0.00 175.10 175.84 2k9f s ALA 64 N -0.52 0.08 -0.52 5.51 0.00 -0.85 -3.56 121.76 121.90 2k9f s ALA 64 Ca 0.08 -0.41 -0.09 0.00 0.00 0.00 0.00 51.96 51.53 2k9f s ALA 64 Cb -0.12 0.10 0.13 0.00 0.00 0.00 0.00 23.12 23.24 2k9f s ALA 64 CO 0.02 -0.12 0.40 -1.12 0.00 0.00 0.00 175.76 174.95 2k9f s SER 65 N -1.04 5.78 0.04 0.00 0.01 -1.26 -0.45 113.70 116.78 2k9f s SER 65 Ca -0.11 -2.07 -0.30 0.00 1.31 0.00 0.00 55.95 54.77 2k9f s SER 65 Cb -0.07 -2.02 -0.08 0.00 0.21 0.00 0.00 66.02 64.06 2k9f s SER 65 CO -0.01 -0.66 1.70 -2.16 0.41 0.00 0.00 173.24 172.52 2k9f s PRO 66 N 1.13 4.18 0.00 12.44 0.04 -1.23 -1.90 135.00 149.66 2k9f s PRO 66 Ca 0.08 2.35 0.00 0.00 0.04 0.00 0.00 61.00 63.47 2k9f s PRO 66 Cb -0.24 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.55 2k9f s PRO 66 CO -0.02 -0.79 0.00 0.41 0.04 0.00 0.00 177.00 176.64 2k9f n GLY 67 N 4.10 0.75 3.48 0.56 0.00 0.09 -3.93 105.19 110.24 2k9f n GLY 67 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.68 2.56 -1.77 1.61 5.36 -0.80 -4.62 117.98 117.64 2k9f s PHE 68 Ca 0.00 -0.25 0.00 0.00 -0.96 0.00 0.00 56.93 55.72 2k9f s PHE 68 Cb 0.00 -1.39 0.00 0.00 -0.34 0.00 0.00 43.02 41.29 2k9f s PHE 68 CO 0.00 0.35 0.00 1.28 -1.46 0.00 0.00 175.22 175.39 2k9f n LEU 69 N 1.04 -1.72 -0.69 6.12 7.99 -1.26 -1.32 117.00 127.15 2k9f n LEU 69 Ca -0.16 0.13 -0.09 0.00 -0.01 0.00 0.00 56.01 55.88 2k9f n LEU 69 Cb 0.52 -2.79 -0.04 0.00 -0.11 0.00 0.00 43.42 41.01 2k9f n LEU 69 CO 0.28 -0.40 -0.09 1.57 -1.51 0.00 0.00 177.39 177.24 2k9f n HIS 70 N -3.52 -0.01 -1.39 -1.77 -0.00 -1.26 -5.02 115.22 102.25 2k9f n HIS 70 Ca -0.22 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.42 2k9f n HIS 70 Cb 0.67 -1.78 0.05 0.00 -0.00 0.00 0.00 29.99 28.93 2k9f n HIS 70 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 2k9f n GLU 71 N -2.72 -0.23 -2.20 1.57 -0.58 -0.44 -5.00 120.64 111.03 2k9f n GLU 71 Ca -0.09 -0.56 -0.42 0.00 -0.42 0.00 0.00 57.16 55.68 2k9f n GLU 71 Cb 0.30 -0.33 -0.03 0.00 -0.57 0.00 0.00 31.44 30.81 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 -3.66 4.37 0.75 3.49 -0.14 -1.26 -4.07 119.74 119.21 2k9f s LYS 72 Ca 0.19 2.06 -0.12 0.00 -1.36 0.00 0.00 55.97 56.75 2k9f s LYS 72 Cb -0.01 -3.21 0.05 0.00 -1.68 0.00 0.00 37.83 32.98 2k9f s LYS 72 CO 0.13 -0.31 1.11 0.21 -0.76 0.00 0.00 175.35 175.73 2k9f s LYS 73 N 0.23 2.30 0.38 1.68 2.20 -1.26 -0.73 119.74 124.55 2k9f s LYS 73 Ca 0.59 1.29 -0.26 0.00 -0.36 0.00 0.00 55.97 57.23 2k9f s LYS 73 Cb -0.37 -1.90 -0.11 0.00 -1.51 0.00 0.00 37.83 33.95 2k9f s LYS 73 CO 0.36 -1.62 1.24 -3.47 -0.36 0.00 0.00 175.35 171.50 2k9f n ASP 74 N -3.22 2.44 0.00 1.43 2.03 -1.26 -1.44 116.55 116.53 2k9f n ASP 74 Ca 0.10 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.55 2k9f n ASP 74 Cb 0.52 -1.47 0.00 0.00 -0.72 0.00 0.00 41.12 39.46 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 0.85 2.39 0.24 0.27 0.00 -1.26 -4.61 105.19 103.07 2k9f n GLY 75 Ca 0.06 -0.49 -0.08 0.00 0.00 0.00 0.00 46.02 45.52 2k9f n GLY 75 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2k9f h ASP 76 N 0.00 0.69 -0.66 1.61 3.58 -1.89 -2.89 116.42 116.86 2k9f h ASP 76 Ca 0.00 -0.29 -0.06 0.00 0.42 0.00 0.00 57.03 57.11 2k9f h ASP 76 Cb 0.00 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 40.83 2k9f h ASP 76 CO 0.00 0.98 0.20 0.15 -2.88 0.00 0.00 179.24 177.68 2k9f h PHE 77 N 0.55 1.07 0.00 0.28 3.57 -1.50 -2.40 116.94 118.52 2k9f h PHE 77 Ca 0.06 -0.11 -0.07 0.00 3.53 0.00 0.00 57.97 61.38 2k9f h PHE 77 Cb 0.86 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 2k9f h PHE 77 CO 0.04 0.87 -0.31 -0.56 -2.23 0.00 0.00 178.31 176.12 2k9f h GLN 78 N 0.96 0.00 0.00 1.11 3.07 -1.81 -1.90 115.11 116.55 2k9f h GLN 78 Ca 0.21 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.86 2k9f h GLN 78 Cb 0.31 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.86 2k9f h GLN 78 CO -0.00 0.31 -0.43 0.87 0.09 0.00 0.00 178.83 179.67 2k9f h LYS 79 N 0.00 0.00 -0.32 0.06 1.57 -1.23 -1.72 116.57 114.93 2k9f h LYS 79 Ca -0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2k9f h LYS 79 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 2k9f h LYS 79 CO 0.04 0.43 0.01 2.35 -0.57 0.00 0.00 179.45 181.70 2k9f h TRP 80 N 0.00 0.61 -0.59 -1.35 2.91 -0.98 -2.26 115.95 114.29 2k9f h TRP 80 Ca -0.00 -0.10 -0.07 0.00 1.13 0.00 0.00 58.89 59.84 2k9f h TRP 80 Cb 0.82 -0.16 -0.02 0.00 -0.51 0.00 0.00 29.16 29.29 2k9f h TRP 80 CO 0.00 0.68 0.07 -0.92 -1.03 0.00 0.00 178.44 177.24 2k9f h TYR 81 N 0.36 1.02 0.00 2.65 3.20 -1.36 -2.06 116.97 120.78 2k9f h TYR 81 Ca 0.09 -0.14 -0.00 0.00 3.14 0.00 0.00 58.73 61.82 2k9f h TYR 81 Cb 0.43 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.42 2k9f h TYR 81 CO 0.03 0.88 -0.02 0.00 -1.64 0.00 0.00 178.16 177.41 2k9f h ALA 82 N 1.17 1.06 -0.53 1.82 0.00 -1.10 -1.53 119.26 120.15 2k9f h ALA 82 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2k9f h ALA 82 Cb 0.43 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2k9f h ALA 82 CO 0.01 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.70 2k9f n GLY 83 N -0.59 3.04 3.50 0.00 0.00 -0.79 -4.96 105.19 105.39 2k9f n GLY 83 Ca -0.01 -0.85 -0.25 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.11 2.69 0.00 0.99 1.43 -0.58 -5.06 118.68 116.05 2k9f s LEU 84 Ca 0.47 -0.90 -0.05 0.00 -1.03 0.00 0.00 54.13 52.62 2k9f s LEU 84 Cb 0.33 -1.26 0.08 0.00 0.03 0.00 0.00 46.19 45.37 2k9f s LEU 84 CO 0.19 0.06 0.50 -3.20 0.23 0.00 0.00 176.35 174.13 2k9f n ASN 85 N -0.43 0.16 -2.29 2.29 5.15 -1.26 -4.81 115.26 114.06 2k9f n ASN 85 Ca -0.07 -1.25 -0.03 0.00 -0.60 0.00 0.00 54.58 52.63 2k9f n ASN 85 Cb 0.59 -0.37 0.00 0.00 -0.53 0.00 0.00 39.78 39.47 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 -2.55 -1.84 1.71 1.20 4.01 -1.26 -4.90 117.16 113.53 2k9f n TYR 86 Ca 0.07 0.73 0.02 0.00 -0.16 0.00 0.00 57.90 58.55 2k9f n TYR 86 Cb 0.23 -2.95 0.10 0.00 -0.31 0.00 0.00 39.34 36.41 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 -0.78 0.86 -0.10 -0.72 -0.04 -1.26 -2.68 135.00 130.27 2k9f n PRO 87 Ca 0.04 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.57 2k9f n PRO 87 Cb 0.35 -1.06 0.12 0.00 -0.04 0.00 0.00 33.50 32.87 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 -0.56 1.83 -2.53 0.54 5.02 -1.26 -4.94 118.16 116.26 2k9f n LYS 88 Ca 0.02 -1.74 -0.43 0.00 -2.02 0.00 0.00 58.31 54.14 2k9f n LYS 88 Cb 0.01 -1.31 -0.02 0.00 -0.02 0.00 0.00 35.03 33.69 2k9f n LYS 88 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k9f s LEU 89 N -1.10 3.74 -1.21 -0.35 1.43 -1.09 -4.93 118.68 115.17 2k9f s LEU 89 Ca 0.23 0.82 -0.17 0.00 -1.03 0.00 0.00 54.13 53.97 2k9f s LEU 89 Cb 0.14 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.78 2k9f s LEU 89 CO 0.19 -1.17 2.08 -2.65 0.23 0.00 0.00 176.35 175.03 2k9f n PRO 90 N 7.56 2.38 -2.51 1.29 -0.02 -1.26 -4.93 135.00 137.51 2k9f n PRO 90 Ca 0.13 -2.40 -0.43 0.00 -2.02 0.00 0.00 63.50 58.79 2k9f n PRO 90 Cb 0.48 -3.20 -0.02 0.00 -0.02 0.00 0.00 33.50 30.74 2k9f n PRO 90 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2k9f s VAL 91 N 4.20 4.24 -0.13 -1.45 1.01 -1.25 -1.67 120.40 125.35 2k9f s VAL 91 Ca 0.52 1.38 -0.13 0.00 0.00 0.00 0.00 61.98 63.76 2k9f s VAL 91 Cb 0.13 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 2k9f s VAL 91 CO 0.00 -0.59 0.28 -0.69 0.00 0.00 0.00 175.10 174.10 2k9f s VAL 92 N 4.25 5.30 -0.70 2.92 1.01 0.13 0.12 120.40 133.43 2k9f s VAL 92 Ca 0.52 0.52 -0.18 0.00 0.00 0.00 0.00 61.98 62.85 2k9f s VAL 92 Cb -0.13 -3.60 0.13 0.00 0.00 0.00 0.00 36.38 32.78 2k9f s VAL 92 CO 0.23 0.46 0.79 0.42 0.00 0.00 0.00 175.10 177.00 2k9f s THR 93 N -0.07 4.99 -1.20 3.92 -4.23 -0.06 -2.02 115.64 116.97 2k9f s THR 93 Ca 0.17 -1.45 -0.18 0.00 -1.18 0.00 0.00 61.69 59.06 2k9f s THR 93 Cb -0.13 -4.53 0.10 0.00 1.34 0.00 0.00 72.50 69.27 2k9f s THR 93 CO 0.05 -1.17 1.56 -0.62 -0.54 0.00 0.00 174.62 173.91 2k9f s ASP 94 N 3.32 6.83 -0.37 3.99 2.15 0.40 -4.32 116.67 128.67 2k9f s ASP 94 Ca 0.16 -2.41 -0.28 0.00 0.43 0.00 0.00 52.55 50.46 2k9f s ASP 94 Cb -0.18 -2.52 -0.04 0.00 -0.30 0.00 0.00 42.92 39.89 2k9f s ASP 94 CO -0.00 -1.10 2.06 0.21 -0.17 0.00 0.00 175.17 176.17 2k9f s ASN 95 N 3.92 5.37 0.00 -0.34 3.84 -1.26 -1.71 114.94 124.76 2k9f s ASN 95 Ca 0.48 1.29 0.00 0.00 0.21 0.00 0.00 52.86 54.84 2k9f s ASN 95 Cb 0.01 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.19 2k9f s ASN 95 CO 0.02 -2.12 0.00 0.61 -2.79 0.00 0.00 177.10 172.82 2k9f n GLY 96 N 5.68 2.68 0.87 1.21 0.00 -1.25 -4.56 105.19 109.82 2k9f n GLY 96 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.78 0.61 0.13 -0.02 0.00 -0.69 -4.87 105.19 99.58 2k9f n GLY 97 Ca 0.00 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 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 1.15 0.07 2.61 2.02 -1.80 0.25 112.91 117.20 2k9f h THR 98 Ca 0.00 -0.45 -0.26 0.00 0.77 0.00 0.00 66.41 66.47 2k9f h THR 98 Cb 0.74 1.01 0.02 0.00 -1.74 0.00 0.00 68.15 68.19 2k9f h THR 98 CO 0.00 0.15 -1.07 0.40 0.37 0.00 0.00 175.52 175.37 2k9f h ILE 99 N 0.25 1.31 -0.71 3.11 1.08 -1.94 -2.36 117.51 118.25 2k9f h ILE 99 Ca 0.08 -2.34 -0.03 0.00 -0.39 0.00 0.00 64.86 62.18 2k9f h ILE 99 Cb 0.14 2.61 -0.03 0.00 -3.07 0.00 0.00 36.82 36.47 2k9f h ILE 99 CO -0.01 0.71 0.31 0.00 -0.69 0.00 0.00 178.15 178.47 2k9f h ALA 100 N 0.31 1.20 -0.02 1.87 0.00 -1.91 -1.31 119.26 119.40 2k9f h ALA 100 Ca -0.15 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.40 2k9f h ALA 100 Cb 1.75 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 19.27 2k9f h ALA 100 CO 0.21 0.59 -0.73 0.37 0.00 0.00 0.00 179.25 179.69 2k9f h GLN 101 N 1.02 0.54 -0.73 0.00 4.15 -0.56 0.11 115.11 119.63 2k9f h GLN 101 Ca 0.24 -0.54 -0.03 0.00 0.77 0.00 0.00 58.65 59.09 2k9f h GLN 101 Cb 0.16 0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.96 2k9f h GLN 101 CO -0.03 1.17 0.34 0.77 -1.93 0.00 0.00 178.83 179.16 2k9f h SER 102 N 0.11 0.95 0.02 -0.69 0.02 -1.25 -2.50 113.55 110.21 2k9f h SER 102 Ca -0.08 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2k9f h SER 102 Cb 1.41 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2k9f h SER 102 CO 0.14 0.81 -0.21 0.18 -1.14 0.00 0.00 176.83 176.61 2k9f n LEU 103 N -4.32 2.14 -3.56 5.07 4.77 -0.51 -4.99 117.00 115.61 2k9f n LEU 103 Ca 0.07 -0.73 -0.25 0.00 -0.03 0.00 0.00 56.01 55.07 2k9f n LEU 103 Cb 0.14 -0.02 0.05 0.00 -2.33 0.00 0.00 43.42 41.26 2k9f n LEU 103 CO 0.39 0.37 -0.04 -3.20 -1.33 0.00 0.00 177.39 173.58 2k9f n ASN 104 N 0.39 -4.98 -4.48 -1.43 5.15 -0.12 -4.94 115.26 104.85 2k9f n ASN 104 Ca 0.13 -0.89 -0.43 0.00 -0.60 0.00 0.00 54.58 52.78 2k9f n ASN 104 Cb 0.48 -4.05 -0.08 0.00 -0.53 0.00 0.00 39.78 35.60 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 -3.48 5.05 -0.18 -1.44 1.01 0.18 -4.88 121.20 117.45 2k9f s ILE 105 Ca 0.39 -0.34 0.15 0.00 0.00 0.00 0.00 60.65 60.84 2k9f s ILE 105 Cb -0.11 -4.08 0.30 0.00 0.01 0.00 0.00 42.46 38.58 2k9f s ILE 105 CO 0.82 -0.48 1.20 -1.20 0.00 0.00 0.00 174.94 175.27 2k9f n SER 106 N 5.71 2.71 -3.76 3.58 7.64 -1.26 -4.89 113.62 123.35 2k9f n SER 106 Ca -0.07 -2.81 -0.13 0.00 1.01 0.00 0.00 58.87 56.87 2k9f n SER 106 Cb 0.47 -0.37 -0.09 0.00 -1.01 0.00 0.00 64.21 63.21 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 -2.41 0.04 0.19 0.44 0.11 -1.26 -5.17 120.40 112.35 2k9f s VAL 107 Ca 0.28 -0.37 0.07 0.00 -2.93 0.00 0.00 61.98 59.03 2k9f s VAL 107 Cb 0.24 -0.59 -0.05 0.00 -1.53 0.00 0.00 36.38 34.45 2k9f s VAL 107 CO 0.05 -0.20 -0.13 -0.31 -3.33 0.00 0.00 175.10 171.17 2k9f s TYR 108 N -1.00 1.59 -0.18 1.54 2.02 -1.26 -4.01 117.35 116.06 2k9f s TYR 108 Ca -0.11 -0.62 -0.22 0.00 -0.37 0.00 0.00 57.07 55.75 2k9f s TYR 108 Cb -0.05 -0.75 -0.02 0.00 -0.40 0.00 0.00 41.96 40.73 2k9f s TYR 108 CO 0.03 0.29 0.67 -1.25 -1.57 0.00 0.00 175.55 173.72 2k9f s PRO 109 N -3.67 4.26 -0.04 -1.71 0.05 -1.25 -4.75 135.00 127.89 2k9f s PRO 109 Ca 0.21 0.72 -0.01 0.00 0.05 0.00 0.00 61.00 61.97 2k9f s PRO 109 Cb 0.00 -3.56 -0.04 0.00 0.05 0.00 0.00 34.50 30.96 2k9f s PRO 109 CO 0.05 -0.21 0.04 -1.12 0.05 0.00 0.00 177.00 175.81 2k9f s SER 110 N 1.13 5.46 -0.10 6.66 0.01 -1.26 -3.43 113.70 122.17 2k9f s SER 110 Ca 0.31 0.13 0.04 0.00 1.31 0.00 0.00 55.95 57.74 2k9f s SER 110 Cb -0.16 -1.54 0.00 0.00 0.21 0.00 0.00 66.02 64.53 2k9f s SER 110 CO 0.11 0.32 -0.22 0.26 0.41 0.00 0.00 173.24 174.12 2k9f s TRP 111 N -1.06 2.38 -0.28 2.43 0.52 0.69 -1.46 118.94 122.17 2k9f s TRP 111 Ca 0.18 -0.98 -0.05 0.00 0.02 0.00 0.00 56.10 55.28 2k9f s TRP 111 Cb -0.12 -1.61 0.02 0.00 -1.15 0.00 0.00 33.47 30.61 2k9f s TRP 111 CO 0.08 -0.40 0.02 0.00 0.02 0.00 0.00 176.95 176.67 2k9f s ALA 112 N 0.42 2.91 -0.31 0.98 0.00 0.86 -0.58 121.76 126.03 2k9f s ALA 112 Ca -0.18 -1.46 -0.19 0.00 0.00 0.00 0.00 51.96 50.13 2k9f s ALA 112 Cb -0.18 -1.95 -0.01 0.00 0.00 0.00 0.00 23.12 20.98 2k9f s ALA 112 CO 0.08 -0.88 0.56 -1.17 0.00 0.00 0.00 175.76 174.34 2k9f s LEU 113 N 1.42 4.19 -0.13 0.00 2.96 0.48 -0.55 118.68 127.05 2k9f s LEU 113 Ca 0.01 0.28 -0.05 0.00 -0.22 0.00 0.00 54.13 54.15 2k9f s LEU 113 Cb -0.17 -2.69 -0.04 0.00 0.50 0.00 0.00 46.19 43.80 2k9f s LEU 113 CO -0.01 -0.43 0.05 -0.63 -1.32 0.00 0.00 176.35 174.02 2k9f s ILE 114 N 2.46 4.75 0.39 6.68 1.09 0.13 0.13 121.20 136.83 2k9f s ILE 114 Ca 0.22 -0.07 -0.07 0.00 -1.10 0.00 0.00 60.65 59.63 2k9f s ILE 114 Cb -0.15 -3.07 0.09 0.00 -1.06 0.00 0.00 42.46 38.27 2k9f s ILE 114 CO 0.12 0.56 0.42 0.61 -0.10 0.00 0.00 174.94 176.55 2k9f n GLY 115 N 2.63 -1.95 0.08 6.18 0.00 0.16 -1.64 105.19 110.64 2k9f n GLY 115 Ca -0.18 -1.57 0.11 0.00 0.00 0.00 0.00 46.02 44.38 2k9f n GLY 115 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k9f n LYS 116 N -2.35 0.14 -0.22 1.61 5.02 -1.26 -2.28 118.16 118.81 2k9f n LYS 116 Ca 0.06 0.28 0.10 0.00 -2.02 0.00 0.00 58.31 56.73 2k9f n LYS 116 Cb 0.20 -1.72 0.26 0.00 -0.02 0.00 0.00 35.03 33.76 2k9f n LYS 116 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2k9f n ASP 117 N -1.97 2.86 -0.82 4.39 9.92 -1.26 -4.60 116.55 125.07 2k9f n ASP 117 Ca 0.04 -1.94 -0.09 0.00 -0.53 0.00 0.00 54.79 52.27 2k9f n ASP 117 Cb 0.28 -0.29 -0.02 0.00 -0.64 0.00 0.00 41.12 40.45 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 1.37 0.56 3.57 0.44 0.00 -0.97 -5.02 105.19 105.15 2k9f n GLY 118 Ca 0.18 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.77 4.29 -0.22 1.61 -4.77 -1.26 -4.88 116.67 108.67 2k9f s ASP 119 Ca 0.00 -0.53 -0.29 0.00 -3.30 0.00 0.00 52.55 48.43 2k9f s ASP 119 Cb 0.00 -0.75 -0.03 0.00 -1.09 0.00 0.00 42.92 41.05 2k9f s ASP 119 CO 0.00 0.12 1.73 -0.69 0.70 0.00 0.00 175.17 177.03 2k9f s VAL 120 N -1.60 3.54 -0.22 2.11 1.01 -1.26 0.40 120.40 124.39 2k9f s VAL 120 Ca 0.24 0.60 -0.19 0.00 0.00 0.00 0.00 61.98 62.63 2k9f s VAL 120 Cb -0.09 -3.58 -0.16 0.00 0.00 0.00 0.00 36.38 32.55 2k9f s VAL 120 CO 0.15 -0.27 0.06 1.67 0.00 0.00 0.00 175.10 176.71 2k9f n GLN 121 N 7.89 0.56 -3.78 2.72 -0.06 0.12 -4.85 117.38 119.97 2k9f n GLN 121 Ca 0.21 0.51 -0.13 0.00 -2.00 0.00 0.00 57.00 55.59 2k9f n GLN 121 Cb 0.45 -1.69 -0.12 0.00 -4.06 0.00 0.00 30.24 24.83 2k9f n GLN 121 CO 0.00 0.00 0.00 0.50 -0.20 0.00 0.00 177.06 177.36 2k9f s ARG 122 N -2.39 0.28 -0.14 3.69 6.06 -0.79 -5.02 118.95 120.64 2k9f s ARG 122 Ca -0.29 0.36 -0.02 0.00 -2.50 0.00 0.00 55.73 53.27 2k9f s ARG 122 Cb 0.07 0.12 -0.02 0.00 0.06 0.00 0.00 34.95 35.18 2k9f s ARG 122 CO 0.53 -0.04 -0.06 -1.50 -2.50 0.00 0.00 175.30 171.73 2k9f s ILE 123 N 0.22 3.68 -0.08 4.11 1.10 -1.26 -0.38 121.20 128.59 2k9f s ILE 123 Ca -0.01 -0.44 0.04 0.00 -0.51 0.00 0.00 60.65 59.74 2k9f s ILE 123 Cb -0.02 -2.59 -0.00 0.00 0.15 0.00 0.00 42.46 40.00 2k9f s ILE 123 CO -0.00 0.51 -0.22 -0.69 -2.11 0.00 0.00 174.94 172.43 2k9f s VAL 124 N 0.24 1.84 -0.01 4.00 1.01 0.25 -5.02 120.40 122.72 2k9f s VAL 124 Ca -0.04 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.02 2k9f s VAL 124 Cb -0.14 -1.59 0.01 0.00 0.00 0.00 0.00 36.38 34.66 2k9f s VAL 124 CO 0.03 0.51 -0.01 -1.59 0.00 0.00 0.00 175.10 174.05 2k9f s LYS 125 N 0.20 0.15 0.00 2.72 -2.85 -1.26 -0.22 119.74 118.47 2k9f s LYS 125 Ca -0.12 -0.01 0.00 0.00 -1.00 0.00 0.00 55.97 54.84 2k9f s LYS 125 Cb -0.16 -0.21 0.00 0.00 -2.06 0.00 0.00 37.83 35.40 2k9f s LYS 125 CO 0.06 -0.02 0.00 0.41 0.10 0.00 0.00 175.35 175.90 2k9f n GLY 126 N 3.37 2.04 3.63 0.59 0.00 -1.22 -5.03 105.19 108.58 2k9f n GLY 126 Ca -0.17 -0.56 -0.07 0.00 0.00 0.00 0.00 46.02 45.22 2k9f n GLY 126 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k9f s SER 127 N -4.00 -0.27 0.38 1.61 1.04 -1.26 -3.76 113.70 107.44 2k9f s SER 127 Ca 0.00 0.48 0.04 0.00 0.48 0.00 0.00 55.95 56.95 2k9f s SER 127 Cb 0.00 0.47 -0.06 0.00 0.10 0.00 0.00 66.02 66.53 2k9f s SER 127 CO 0.00 -0.12 0.05 0.27 0.98 0.00 0.00 173.24 174.42 2k9f s ILE 128 N -0.12 1.31 0.27 -1.02 -4.36 -1.26 -5.12 121.20 110.90 2k9f s ILE 128 Ca 0.04 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.47 2k9f s ILE 128 Cb -0.04 -2.72 -0.06 0.00 1.25 0.00 0.00 42.46 40.89 2k9f s ILE 128 CO -0.09 0.00 0.03 0.54 0.24 0.00 0.00 174.94 175.66 2k9f s ASN 129 N -3.60 1.96 0.11 4.36 2.20 -1.26 -5.04 114.94 113.67 2k9f s ASN 129 Ca 0.31 -1.30 -0.22 0.00 -0.94 0.00 0.00 52.86 50.72 2k9f s ASN 129 Cb 0.08 -0.01 -0.10 0.00 -2.00 0.00 0.00 41.25 39.22 2k9f s ASN 129 CO 0.15 -0.57 1.73 -0.08 -2.94 0.00 0.00 177.10 175.38 2k9f h GLU 130 N 2.33 0.01 -0.95 3.55 4.81 -2.02 -0.31 114.58 121.99 2k9f h GLU 130 Ca -0.39 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.85 2k9f h GLU 130 Cb 1.23 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.57 2k9f h GLU 130 CO 0.66 0.00 0.63 0.00 -0.73 0.00 0.00 179.01 179.57 2k9f h ALA 131 N 1.09 1.21 -0.63 2.92 0.00 -1.99 0.15 119.26 122.01 2k9f h ALA 131 Ca 0.04 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2k9f h ALA 131 Cb 0.06 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 2k9f h ALA 131 CO -0.09 0.61 0.12 0.37 0.00 0.00 0.00 179.25 180.27 2k9f h GLN 132 N 1.30 1.01 -0.54 0.00 4.15 -1.88 0.49 115.11 119.63 2k9f h GLN 132 Ca 0.35 -0.24 -0.07 0.00 0.77 0.00 0.00 58.65 59.45 2k9f h GLN 132 Cb -0.14 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.40 2k9f h GLN 132 CO -0.07 0.92 0.06 0.00 -1.93 0.00 0.00 178.83 177.80 2k9f h ALA 133 N 1.17 0.72 -0.60 3.38 0.00 -0.16 -1.53 119.26 122.25 2k9f h ALA 133 Ca 0.20 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2k9f h ALA 133 Cb 0.38 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2k9f h ALA 133 CO 0.01 0.48 0.09 -0.07 0.00 0.00 0.00 179.25 179.76 2k9f h LEU 134 N 0.79 0.92 -0.97 0.00 3.38 -0.61 -2.53 115.31 116.29 2k9f h LEU 134 Ca 0.16 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2k9f h LEU 134 Cb 0.44 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2k9f h LEU 134 CO 0.02 0.93 0.32 0.00 0.09 0.00 0.00 178.44 179.80 2k9f h ALA 135 N 1.18 1.19 -0.36 1.53 0.00 -0.57 -1.14 119.26 121.09 2k9f h ALA 135 Ca 0.18 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2k9f h ALA 135 Cb 0.41 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2k9f h ALA 135 CO 0.01 0.60 0.01 1.25 0.00 0.00 0.00 179.25 181.13 2k9f h LEU 136 N 1.05 0.52 -0.62 0.00 5.85 -0.88 0.17 115.31 121.40 2k9f h LEU 136 Ca 0.25 -0.10 -0.15 0.00 0.84 0.00 0.00 57.88 58.72 2k9f h LEU 136 Cb 0.15 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2k9f h LEU 136 CO -0.03 0.58 -0.61 0.40 -0.34 0.00 0.00 178.44 178.45 2k9f h ILE 137 N 0.54 1.38 -0.05 4.05 2.04 -1.01 -3.09 117.51 121.37 2k9f h ILE 137 Ca 0.12 -1.97 -0.02 0.00 1.00 0.00 0.00 64.86 63.98 2k9f h ILE 137 Cb 0.32 1.98 -0.00 0.00 -0.74 0.00 0.00 36.82 38.39 2k9f h ILE 137 CO 0.01 0.59 -0.06 -0.09 0.00 0.00 0.00 178.15 178.60 2k9f h ARG 138 N 0.21 0.12 -2.57 2.37 9.65 -0.36 -3.44 114.38 120.37 2k9f h ARG 138 Ca -0.01 -0.07 -0.19 0.00 -1.10 0.00 0.00 59.98 58.61 2k9f h ARG 138 Cb 1.12 0.00 -0.31 0.00 -1.39 0.00 0.00 29.97 29.39 2k9f h ARG 138 CO 0.10 0.61 -0.49 0.34 2.80 0.00 0.00 179.97 183.32 2k9f s ASP 139 N -5.88 0.32 0.01 -3.80 -1.08 0.52 -5.01 116.67 101.74 2k9f s ASP 139 Ca -0.15 0.53 0.05 0.00 -0.52 0.00 0.00 52.55 52.45 2k9f s ASP 139 Cb 0.03 0.89 0.22 0.00 -1.46 0.00 0.00 42.92 42.59 2k9f s ASP 139 CO 0.70 -0.26 1.16 -0.81 0.52 0.00 0.00 175.17 176.48 2k9f n PRO 140 N 5.36 0.00 0.00 4.34 -0.04 -1.17 -1.47 135.00 142.03 2k9f n PRO 140 Ca -0.06 0.42 0.14 0.00 -0.04 0.00 0.00 63.50 63.96 2k9f n PRO 140 Cb 0.50 -1.51 0.63 0.00 -0.04 0.00 0.00 33.50 33.08 2k9f n PRO 140 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2k9f n ASN 141 N -1.51 0.12 -4.69 3.54 3.02 -1.26 -4.82 115.26 109.65 2k9f n ASN 141 Ca 0.01 0.04 -0.42 0.00 -0.03 0.00 0.00 54.58 54.18 2k9f n ASN 141 Cb 0.06 -0.29 -0.03 0.00 -0.61 0.00 0.00 39.78 38.91 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 -2.77 3.59 0.01 5.41 0.00 -0.54 -5.01 121.76 122.46 2k9f s ALA 142 Ca 0.21 0.93 0.02 0.00 0.00 0.00 0.00 51.96 53.12 2k9f s ALA 142 Cb 0.19 -3.60 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 2k9f s ALA 142 CO 0.51 -0.92 -0.06 0.34 0.00 0.00 0.00 175.76 175.63 2k9f s ASP 143 N 1.90 0.69 0.00 0.00 2.15 -1.26 -4.87 116.67 115.29 2k9f s ASP 143 Ca 0.65 -0.27 0.00 0.00 0.43 0.00 0.00 52.55 53.36 2k9f s ASP 143 Cb -0.33 -0.03 0.00 0.00 -0.30 0.00 0.00 42.92 42.27 2k9f s ASP 143 CO 0.27 -0.04 0.00 0.00 -0.17 0.00 0.00 175.17 175.23