#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 1.50 -0.15 1.12 0.24 -1.26 -4.92 118.33 114.86 2k9f n VAL 2 Ca 0.00 -5.02 -0.10 0.00 -2.04 0.00 0.00 64.34 57.18 2k9f n VAL 2 Cb 0.00 -1.27 -0.01 0.00 -1.47 0.00 0.00 33.84 31.10 2k9f n VAL 2 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 2k9f h PRO 3 N 3.34 0.72 -0.59 7.34 0.11 -1.99 -1.88 132.00 139.04 2k9f h PRO 3 Ca 0.13 -0.19 0.02 0.00 0.11 0.00 0.00 66.00 66.06 2k9f h PRO 3 Cb 0.72 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.71 2k9f h PRO 3 CO 0.68 0.75 0.37 1.12 -0.21 0.00 0.00 178.00 180.71 2k9f h HIS 4 N 0.58 0.69 -0.22 0.65 2.07 -1.98 -0.48 115.15 116.47 2k9f h HIS 4 Ca 0.13 0.02 -0.02 0.00 -2.85 0.00 0.00 60.37 57.65 2k9f h HIS 4 Cb 0.38 -0.23 -0.01 0.00 2.57 0.00 0.00 27.41 30.12 2k9f h HIS 4 CO 0.03 0.40 0.06 1.15 -3.07 0.00 0.00 177.93 176.50 2k9f h THR 5 N 0.73 1.20 -0.58 6.12 2.02 -1.93 -2.35 112.91 118.13 2k9f h THR 5 Ca 0.23 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 2k9f h THR 5 Cb -0.00 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 2k9f h THR 5 CO -0.09 0.21 0.31 0.25 0.37 0.00 0.00 175.52 176.57 2k9f h LEU 6 N 0.17 0.71 -0.03 2.58 5.85 -1.07 -0.81 115.31 122.71 2k9f h LEU 6 Ca 0.07 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2k9f h LEU 6 Cb 0.26 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2k9f h LEU 6 CO -0.00 0.58 0.00 -1.20 -0.34 0.00 0.00 178.44 177.48 2k9f n SER 7 N -4.39 0.07 -0.22 1.25 7.64 -0.21 -2.49 113.62 115.27 2k9f n SER 7 Ca 0.05 0.51 0.12 0.00 1.01 0.00 0.00 58.87 60.57 2k9f n SER 7 Cb 0.10 -0.53 0.25 0.00 -1.01 0.00 0.00 64.21 63.02 2k9f n SER 7 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2k9f n THR 8 N -1.57 0.00 -1.92 0.44 -1.04 -0.32 -4.68 114.28 105.19 2k9f n THR 8 Ca 0.05 -0.12 -0.43 0.00 -2.04 0.00 0.00 64.05 61.52 2k9f n THR 8 Cb 0.28 0.56 -0.03 0.00 -1.82 0.00 0.00 70.33 69.32 2k9f n THR 8 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2k9f s LEU 9 N -2.63 3.49 -0.08 -4.42 2.01 -1.04 -4.94 118.68 111.07 2k9f s LEU 9 Ca 0.19 1.39 -0.10 0.00 0.01 0.00 0.00 54.13 55.63 2k9f s LEU 9 Cb 0.18 -3.47 -0.05 0.00 0.01 0.00 0.00 46.19 42.86 2k9f s LEU 9 CO 0.59 -1.79 0.24 -0.54 1.01 0.00 0.00 176.35 175.86 2k9f s LYS 10 N 5.86 3.65 0.78 1.70 3.01 -1.26 0.10 119.74 133.58 2k9f s LYS 10 Ca 0.84 0.07 -0.09 0.00 -1.01 0.00 0.00 55.97 55.78 2k9f s LYS 10 Cb -0.24 -3.21 0.10 0.00 -1.01 0.00 0.00 37.83 33.46 2k9f s LYS 10 CO 0.33 0.72 1.10 0.95 0.51 0.00 0.00 175.35 178.97 2k9f s THR 11 N -0.96 2.15 -1.09 2.17 -4.23 0.95 -0.94 115.64 113.69 2k9f s THR 11 Ca 0.18 -0.21 0.15 0.00 -1.18 0.00 0.00 61.69 60.63 2k9f s THR 11 Cb -0.14 -2.95 0.16 0.00 1.34 0.00 0.00 72.50 70.91 2k9f s THR 11 CO 0.07 0.00 1.47 0.00 -0.54 0.00 0.00 174.62 175.62 2k9f n ALA 12 N -3.15 1.72 0.76 3.99 0.00 0.12 -1.46 120.51 122.49 2k9f n ALA 12 Ca 0.10 -0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.57 2k9f n ALA 12 Cb 0.60 -1.24 0.24 0.00 0.00 0.00 0.00 19.45 19.05 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 -1.45 2.23 -0.24 0.00 2.03 -1.26 -4.90 116.55 112.95 2k9f n ASP 13 Ca 0.04 -1.92 -0.03 0.00 0.52 0.00 0.00 54.79 53.40 2k9f n ASP 13 Cb 0.16 -0.24 -0.01 0.00 -0.72 0.00 0.00 41.12 40.31 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 0.71 -4.29 -4.53 1.67 4.13 -0.54 -5.01 115.26 107.40 2k9f n ASN 14 Ca 0.15 0.08 -0.32 0.00 1.68 0.00 0.00 54.58 56.17 2k9f n ASN 14 Cb 0.37 -2.07 -0.12 0.00 -1.54 0.00 0.00 39.78 36.43 2k9f n ASN 14 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2k9f s ARG 15 N -1.54 2.42 0.52 3.52 3.00 -1.26 -4.85 118.95 120.76 2k9f s ARG 15 Ca 0.00 -0.78 -0.22 0.00 0.00 0.00 0.00 55.73 54.73 2k9f s ARG 15 Cb 0.00 -2.40 -0.06 0.00 0.00 0.00 0.00 34.95 32.50 2k9f s ARG 15 CO 0.00 0.59 1.26 -2.14 0.00 0.00 0.00 175.30 175.02 2k9f s PRO 16 N -1.27 3.37 0.00 3.54 0.02 -1.26 -0.04 135.00 139.36 2k9f s PRO 16 Ca 0.15 2.00 0.14 0.00 0.02 0.00 0.00 61.00 63.32 2k9f s PRO 16 Cb -0.11 -2.28 0.73 0.00 0.02 0.00 0.00 34.50 32.86 2k9f s PRO 16 CO 0.05 -0.94 1.39 0.00 -0.33 0.00 0.00 177.00 177.18 2k9f n ALA 17 N -0.87 1.82 0.21 -1.55 0.00 0.12 -3.05 120.51 117.18 2k9f n ALA 17 Ca 0.09 -0.07 0.17 0.00 0.00 0.00 0.00 53.44 53.64 2k9f n ALA 17 Cb 0.47 -1.23 0.83 0.00 0.00 0.00 0.00 19.45 19.51 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 0.24 0.00 0.02 -1.83 0.42 113.55 112.40 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 0.13 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 2k9f h SER 18 CO 0.00 0.00 -0.02 -0.37 -1.14 0.00 0.00 176.83 175.30 2k9f h VAL 19 N 0.00 0.16 -0.07 2.27 -1.51 -1.94 -0.69 116.25 114.47 2k9f h VAL 19 Ca 0.09 -0.18 -0.00 0.00 -1.23 0.00 0.00 66.70 65.38 2k9f h VAL 19 Cb 0.50 1.15 -0.00 0.00 -2.13 0.00 0.00 31.29 30.81 2k9f h VAL 19 CO -0.00 0.02 -0.02 -1.22 -1.23 0.00 0.00 177.57 175.12 2k9f n TYR 20 N -3.27 0.25 -1.62 5.19 4.01 0.12 -4.53 117.16 117.31 2k9f n TYR 20 Ca -0.02 -1.00 0.06 0.00 -0.16 0.00 0.00 57.90 56.78 2k9f n TYR 20 Cb 0.14 -0.20 0.13 0.00 -0.31 0.00 0.00 39.34 39.10 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 -1.20 1.97 0.00 7.72 4.77 -0.27 -4.80 117.00 125.19 2k9f n LEU 21 Ca 0.18 -2.96 -0.02 0.00 -0.03 0.00 0.00 56.01 53.18 2k9f n LEU 21 Cb 0.71 -0.34 -0.00 0.00 -2.33 0.00 0.00 43.42 41.45 2k9f n LEU 21 CO 0.05 0.88 -0.01 0.29 -1.33 0.00 0.00 177.39 177.27 2k9f n LYS 22 N -0.83 1.52 -0.96 3.23 5.02 -1.21 -4.79 118.16 120.16 2k9f n LYS 22 Ca 0.13 -0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 2k9f n LYS 22 Cb 0.75 0.09 0.00 0.00 -0.02 0.00 0.00 35.03 35.84 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 -0.07 -0.99 -3.08 1.97 5.02 -1.26 -2.87 118.16 116.88 2k9f n LYS 23 Ca -0.01 0.25 -0.22 0.00 -2.02 0.00 0.00 58.31 56.31 2k9f n LYS 23 Cb 0.04 -4.09 0.02 0.00 -0.02 0.00 0.00 35.03 30.98 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 -0.50 -5.39 -4.88 4.39 9.92 -1.26 -4.98 116.55 113.86 2k9f n ASP 24 Ca 0.00 -0.29 -0.30 0.00 -0.53 0.00 0.00 54.79 53.67 2k9f n ASP 24 Cb 0.25 -4.38 -0.05 0.00 -0.64 0.00 0.00 41.12 36.30 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 -5.75 3.27 0.41 -1.24 1.02 -1.14 -4.78 119.74 111.54 2k9f s LYS 25 Ca 0.31 -0.54 -0.26 0.00 0.02 0.00 0.00 55.97 55.51 2k9f s LYS 25 Cb -0.15 -2.94 -0.09 0.00 -0.52 0.00 0.00 37.83 34.14 2k9f s LYS 25 CO 0.38 0.59 1.31 -1.25 -0.92 0.00 0.00 175.35 175.46 2k9f s PRO 26 N -2.56 3.92 -0.04 -1.68 0.04 -1.26 -4.68 135.00 128.74 2k9f s PRO 26 Ca 0.33 2.17 0.01 0.00 0.04 0.00 0.00 61.00 63.55 2k9f s PRO 26 Cb -0.13 -2.72 -0.03 0.00 0.04 0.00 0.00 34.50 31.66 2k9f s PRO 26 CO 0.26 -0.54 -0.02 0.99 0.04 0.00 0.00 177.00 177.73 2k9f s THR 27 N -1.27 4.02 -0.32 1.26 2.01 -0.67 -1.09 115.64 119.58 2k9f s THR 27 Ca 0.58 -0.51 0.04 0.00 0.31 0.00 0.00 61.69 62.10 2k9f s THR 27 Cb -0.38 -2.73 0.09 0.00 0.01 0.00 0.00 72.50 69.49 2k9f s THR 27 CO 0.49 0.49 0.02 -0.22 -0.69 0.00 0.00 174.62 174.71 2k9f s LEU 28 N -1.20 4.37 -0.22 4.42 2.96 0.11 0.14 118.68 129.27 2k9f s LEU 28 Ca 0.16 -1.99 -0.22 0.00 -0.22 0.00 0.00 54.13 51.86 2k9f s LEU 28 Cb -0.11 -1.57 -0.02 0.00 0.50 0.00 0.00 46.19 44.99 2k9f s LEU 28 CO 0.06 -0.35 0.71 -0.63 -1.32 0.00 0.00 176.35 174.82 2k9f s ILE 29 N 0.98 4.95 -0.31 6.68 1.01 0.21 -0.65 121.20 134.07 2k9f s ILE 29 Ca 0.07 1.33 -0.01 0.00 0.00 0.00 0.00 60.65 62.04 2k9f s ILE 29 Cb -0.19 -4.01 0.06 0.00 0.01 0.00 0.00 42.46 38.32 2k9f s ILE 29 CO -0.08 0.04 0.01 -0.75 0.00 0.00 0.00 174.94 174.15 2k9f s LYS 30 N 2.29 2.36 0.15 2.79 2.36 0.82 0.30 119.74 130.82 2k9f s LYS 30 Ca 0.31 -1.33 -0.27 0.00 -2.55 0.00 0.00 55.97 52.13 2k9f s LYS 30 Cb -0.16 -3.20 -0.07 0.00 -1.05 0.00 0.00 37.83 33.35 2k9f s LYS 30 CO 0.10 -0.66 0.83 -0.06 1.55 0.00 0.00 175.35 177.11 2k9f s PHE 31 N 1.23 3.87 0.23 4.03 0.08 0.42 -0.37 117.98 127.47 2k9f s PHE 31 Ca -0.04 1.68 -0.01 0.00 0.12 0.00 0.00 56.93 58.69 2k9f s PHE 31 Cb -0.20 -2.86 -0.04 0.00 -0.57 0.00 0.00 43.02 39.35 2k9f s PHE 31 CO -0.02 0.41 0.18 1.67 -0.10 0.00 0.00 175.22 177.37 2k9f s TRP 32 N -0.76 1.20 0.04 0.36 1.48 -1.00 -2.90 118.94 117.37 2k9f s TRP 32 Ca 0.39 -1.38 0.08 0.00 -1.06 0.00 0.00 56.10 54.13 2k9f s TRP 32 Cb -0.23 -0.52 -0.03 0.00 -1.16 0.00 0.00 33.47 31.53 2k9f s TRP 32 CO 0.27 -0.71 -0.22 0.00 -4.06 0.00 0.00 176.95 172.23 2k9f s ALA 33 N -4.01 1.88 -0.03 2.67 0.00 -1.26 -4.64 121.76 116.36 2k9f s ALA 33 Ca 0.38 -1.11 -0.15 0.00 0.00 0.00 0.00 51.96 51.08 2k9f s ALA 33 Cb 0.06 -0.38 -0.32 0.00 0.00 0.00 0.00 23.12 22.48 2k9f s ALA 33 CO 0.14 0.43 0.79 0.77 0.00 0.00 0.00 175.76 177.89 2k9f h SER 34 N 4.87 0.63 -0.32 0.00 0.02 -2.00 -3.33 113.55 113.43 2k9f h SER 34 Ca -0.43 -0.92 -0.08 0.00 -0.84 0.00 0.00 61.79 59.51 2k9f h SER 34 Cb 1.15 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 63.44 2k9f h SER 34 CO 0.44 1.68 0.11 -2.67 -1.14 0.00 0.00 176.83 175.24 2k9f n TRP 35 N -3.78 1.06 -4.74 3.45 -0.00 -1.26 -4.84 117.44 107.34 2k9f n TRP 35 Ca -0.21 -0.60 -0.33 0.00 -0.00 0.00 0.00 57.50 56.36 2k9f n TRP 35 Cb 1.02 -0.38 -0.15 0.00 -0.00 0.00 0.00 31.31 31.79 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 6.93 0.83 -0.55 0.00 0.13 -1.91 -1.66 132.00 135.76 2k9f h PRO 37 Ca -0.27 -0.16 -0.07 0.00 -0.87 0.00 0.00 66.00 64.63 2k9f h PRO 37 Cb 1.21 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 2k9f h PRO 37 CO 0.55 0.73 0.07 -0.07 -0.23 0.00 0.00 178.00 179.05 2k9f h LEU 38 N 0.75 0.90 -1.39 1.56 3.38 -1.96 -2.43 115.31 116.12 2k9f h LEU 38 Ca 0.18 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2k9f h LEU 38 Cb 0.23 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2k9f h LEU 38 CO -0.01 0.94 -0.07 0.00 0.09 0.00 0.00 178.44 179.40 2k9f h LEU 40 N 0.00 0.21 -1.08 0.00 5.85 -0.80 -2.95 115.31 116.54 2k9f h LEU 40 Ca -0.00 -0.42 -0.08 0.00 0.84 0.00 0.00 57.88 58.21 2k9f h LEU 40 Cb 0.57 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 2k9f h LEU 40 CO 0.01 0.58 -0.26 0.28 -0.34 0.00 0.00 178.44 178.71 2k9f h SER 41 N -0.17 0.32 -0.48 1.25 0.02 -1.41 -2.69 113.55 110.39 2k9f h SER 41 Ca 0.02 -0.10 0.08 0.00 -0.84 0.00 0.00 61.79 60.95 2k9f h SER 41 Cb 0.51 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 2k9f h SER 41 CO 0.01 0.59 0.32 -0.33 -1.14 0.00 0.00 176.83 176.29 2k9f h GLU 42 N 0.29 0.30 -0.40 3.45 4.39 -1.33 -2.05 114.58 119.23 2k9f h GLU 42 Ca 0.04 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.76 2k9f h GLU 42 Cb 0.63 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.17 2k9f h GLU 42 CO 0.04 0.20 0.20 -0.07 -1.16 0.00 0.00 179.01 178.22 2k9f h LEU 43 N 0.31 0.29 -0.44 1.33 3.38 -1.31 0.16 115.31 119.02 2k9f h LEU 43 Ca 0.22 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 2k9f h LEU 43 Cb 0.45 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2k9f h LEU 43 CO -0.05 0.21 0.14 1.23 0.09 0.00 0.00 178.44 180.07 2k9f h GLY 44 N 0.41 0.74 1.26 0.83 0.00 -1.51 -1.80 103.07 102.98 2k9f h GLY 44 Ca 0.17 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 46.98 2k9f h GLY 44 CO -0.12 0.40 -0.03 -1.61 0.00 0.00 0.00 176.54 175.18 2k9f h GLN 45 N 0.58 0.89 -0.53 4.80 4.15 -1.29 -2.28 115.11 121.43 2k9f h GLN 45 Ca 0.14 -0.27 -0.04 0.00 0.77 0.00 0.00 58.65 59.26 2k9f h GLN 45 Cb 0.25 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.83 2k9f h GLN 45 CO -0.01 0.91 0.19 1.15 -1.93 0.00 0.00 178.83 179.14 2k9f h THR 46 N 0.82 1.23 -0.71 2.39 2.02 -0.45 -0.71 112.91 117.49 2k9f h THR 46 Ca 0.15 -0.73 -0.07 0.00 0.77 0.00 0.00 66.41 66.53 2k9f h THR 46 Cb 0.53 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 2k9f h THR 46 CO 0.03 0.27 0.18 -0.08 0.37 0.00 0.00 175.52 176.29 2k9f h GLU 47 N 0.72 1.12 0.05 6.66 4.81 -1.18 0.17 114.58 126.93 2k9f h GLU 47 Ca 0.17 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2k9f h GLU 47 Cb 0.24 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2k9f h GLU 47 CO -0.01 0.98 -0.02 -0.22 -0.73 0.00 0.00 179.01 179.01 2k9f h LYS 48 N 1.07 -0.06 -0.69 1.92 1.63 -1.09 -2.35 116.57 117.00 2k9f h LYS 48 Ca 0.22 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.95 2k9f h LYS 48 Cb 0.36 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.97 2k9f h LYS 48 CO 0.00 -0.00 0.13 -1.49 -3.45 0.00 0.00 179.45 174.64 2k9f h TRP 49 N -0.11 1.18 0.00 1.91 6.55 -0.92 -2.44 115.95 122.12 2k9f h TRP 49 Ca -0.01 -0.16 0.00 0.00 0.95 0.00 0.00 58.89 59.68 2k9f h TRP 49 Cb 0.09 -0.33 0.00 0.00 -0.86 0.00 0.00 29.16 28.06 2k9f h TRP 49 CO -0.06 0.98 0.00 0.00 -1.05 0.00 0.00 178.44 178.31 2k9f h ALA 50 N 1.06 1.00 -0.61 1.49 0.00 -0.46 -0.86 119.26 120.88 2k9f h ALA 50 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2k9f h ALA 50 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2k9f h ALA 50 CO 0.01 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.30 2k9f n GLN 51 N -2.88 2.82 -2.86 0.00 1.13 -0.90 -4.73 117.38 109.95 2k9f n GLN 51 Ca -0.01 -2.48 -0.34 0.00 -1.94 0.00 0.00 57.00 52.22 2k9f n GLN 51 Cb 0.14 -1.49 -0.07 0.00 0.11 0.00 0.00 30.24 28.94 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 -1.00 7.03 0.23 1.08 2.15 -0.33 -4.98 116.67 120.84 2k9f s ASP 52 Ca 0.41 1.67 -0.07 0.00 0.43 0.00 0.00 52.55 54.99 2k9f s ASP 52 Cb 0.22 -2.53 0.19 0.00 -0.30 0.00 0.00 42.92 40.50 2k9f s ASP 52 CO 0.27 -0.25 1.83 0.00 -0.17 0.00 0.00 175.17 176.86 2k9f h ALA 53 N 2.34 1.12 -0.05 3.66 0.00 -1.94 -1.83 119.26 122.56 2k9f h ALA 53 Ca -0.48 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.09 2k9f h ALA 53 Cb 1.18 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 2k9f h ALA 53 CO 0.63 0.66 -0.78 0.87 0.00 0.00 0.00 179.25 180.62 2k9f h LYS 54 N 1.23 0.38 0.00 0.00 1.79 -1.93 -3.01 116.57 115.03 2k9f h LYS 54 Ca 0.30 -0.33 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2k9f h LYS 54 Cb 0.08 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 2k9f h LYS 54 CO -0.04 0.99 0.00 1.19 -1.08 0.00 0.00 179.45 180.50 2k9f n PHE 55 N -3.80 0.17 1.47 -1.35 3.72 -1.07 -3.05 117.46 113.55 2k9f n PHE 55 Ca -0.05 0.05 0.09 0.00 -0.05 0.00 0.00 57.45 57.50 2k9f n PHE 55 Cb 0.74 -0.59 0.55 0.00 -0.94 0.00 0.00 39.48 39.24 2k9f n PHE 55 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2k9f n SER 56 N -1.64 0.00 -0.02 4.37 7.64 -0.71 -2.38 113.62 120.88 2k9f n SER 56 Ca 0.06 -0.89 0.13 0.00 1.01 0.00 0.00 58.87 59.17 2k9f n SER 56 Cb 0.30 0.00 0.35 0.00 -1.01 0.00 0.00 64.21 63.85 2k9f n SER 56 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2k9f n SER 57 N -0.89 0.43 -4.34 6.43 7.64 -1.17 -4.90 113.62 116.82 2k9f n SER 57 Ca 0.14 -0.16 -0.17 0.00 1.01 0.00 0.00 58.87 59.69 2k9f n SER 57 Cb 0.06 0.08 -0.10 0.00 -1.01 0.00 0.00 64.21 63.24 2k9f n SER 57 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k9f s ALA 58 N -2.95 1.83 -0.58 -0.43 0.00 -1.00 -4.68 121.76 113.95 2k9f s ALA 58 Ca 0.13 -1.85 -0.11 0.00 0.00 0.00 0.00 51.96 50.13 2k9f s ALA 58 Cb 0.18 0.78 0.15 0.00 0.00 0.00 0.00 23.12 24.22 2k9f s ALA 58 CO 0.65 -0.36 0.48 -0.80 0.00 0.00 0.00 175.76 175.72 2k9f s ASN 59 N -3.33 5.98 -0.15 0.00 0.01 -0.25 -4.98 114.94 112.23 2k9f s ASN 59 Ca 0.34 -2.16 -0.24 0.00 -0.71 0.00 0.00 52.86 50.09 2k9f s ASN 59 Cb 0.07 -2.08 -0.02 0.00 0.41 0.00 0.00 41.25 39.63 2k9f s ASN 59 CO 0.12 -0.67 0.74 -0.22 -1.51 0.00 0.00 177.10 175.56 2k9f s LEU 60 N 1.00 4.21 -0.03 0.60 0.20 -1.26 0.07 118.68 123.47 2k9f s LEU 60 Ca 0.09 1.09 0.01 0.00 0.69 0.00 0.00 54.13 56.01 2k9f s LEU 60 Cb -0.23 -3.10 0.02 0.00 -0.43 0.00 0.00 46.19 42.45 2k9f s LEU 60 CO -0.02 -0.28 -0.02 0.27 -0.29 0.00 0.00 176.35 176.01 2k9f s ILE 61 N 1.68 0.31 -0.11 6.68 -4.36 0.18 -4.81 121.20 120.77 2k9f s ILE 61 Ca 0.36 -0.03 -0.18 0.00 -0.26 0.00 0.00 60.65 60.53 2k9f s ILE 61 Cb -0.17 -0.35 -0.04 0.00 1.25 0.00 0.00 42.46 43.15 2k9f s ILE 61 CO 0.14 0.15 0.46 0.42 0.24 0.00 0.00 174.94 176.35 2k9f s THR 62 N 0.72 5.17 0.03 8.37 -4.23 -0.57 -0.12 115.64 125.00 2k9f s THR 62 Ca -0.08 0.92 0.01 0.00 -1.18 0.00 0.00 61.69 61.37 2k9f s THR 62 Cb -0.11 -3.80 -0.02 0.00 1.34 0.00 0.00 72.50 69.91 2k9f s THR 62 CO -0.01 0.36 -0.06 0.54 -0.54 0.00 0.00 174.62 174.91 2k9f s VAL 63 N 0.43 0.39 0.11 2.29 0.11 0.50 0.54 120.40 124.78 2k9f s VAL 63 Ca 0.25 -0.79 0.03 0.00 -2.93 0.00 0.00 61.98 58.54 2k9f s VAL 63 Cb -0.15 -0.44 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 2k9f s VAL 63 CO 0.10 -0.27 -0.08 0.00 -3.33 0.00 0.00 175.10 171.52 2k9f s ALA 64 N -1.03 1.13 -0.55 1.54 0.00 -1.03 -2.36 121.76 119.45 2k9f s ALA 64 Ca -0.08 -1.33 -0.05 0.00 0.00 0.00 0.00 51.96 50.50 2k9f s ALA 64 Cb -0.08 0.09 0.14 0.00 0.00 0.00 0.00 23.12 23.28 2k9f s ALA 64 CO -0.00 -0.14 0.38 -1.12 0.00 0.00 0.00 175.76 174.88 2k9f s SER 65 N -2.89 5.46 -0.02 0.00 0.01 -1.26 -0.98 113.70 114.03 2k9f s SER 65 Ca 0.11 -2.42 -0.30 0.00 1.31 0.00 0.00 55.95 54.65 2k9f s SER 65 Cb 0.02 -1.91 -0.07 0.00 0.21 0.00 0.00 66.02 64.27 2k9f s SER 65 CO -0.02 -0.50 1.84 -2.16 0.41 0.00 0.00 173.24 172.81 2k9f s PRO 66 N 0.59 4.09 0.00 12.44 0.04 -1.23 -1.66 135.00 149.27 2k9f s PRO 66 Ca 0.12 2.38 0.00 0.00 0.04 0.00 0.00 61.00 63.54 2k9f s PRO 66 Cb -0.21 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.23 2k9f s PRO 66 CO -0.04 -0.99 0.00 0.41 0.04 0.00 0.00 177.00 176.43 2k9f n GLY 67 N 4.45 0.75 3.15 0.56 0.00 -0.31 -3.87 105.19 109.92 2k9f n GLY 67 Ca 0.19 -0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.00 1.33 -1.83 1.61 5.36 -0.66 -4.74 117.98 117.04 2k9f s PHE 68 Ca 0.00 -0.33 0.00 0.00 -0.96 0.00 0.00 56.93 55.64 2k9f s PHE 68 Cb 0.00 -0.80 0.00 0.00 -0.34 0.00 0.00 43.02 41.88 2k9f s PHE 68 CO 0.00 0.03 0.00 1.28 -1.46 0.00 0.00 175.22 175.07 2k9f n LEU 69 N 2.05 -1.79 -0.79 6.12 4.77 -1.26 -1.47 117.00 124.62 2k9f n LEU 69 Ca -0.17 0.12 -0.10 0.00 -0.03 0.00 0.00 56.01 55.83 2k9f n LEU 69 Cb 0.55 -2.83 -0.04 0.00 -2.33 0.00 0.00 43.42 38.76 2k9f n LEU 69 CO 0.23 -0.44 -0.10 1.41 -1.33 0.00 0.00 177.39 177.16 2k9f n HIS 70 N -3.57 0.00 -1.57 -1.77 8.25 -1.26 -5.02 115.22 110.28 2k9f n HIS 70 Ca -0.23 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 56.93 2k9f n HIS 70 Cb 0.67 -2.03 0.21 0.00 1.12 0.00 0.00 29.99 29.96 2k9f n HIS 70 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2k9f s GLU 71 N -2.79 -0.10 0.56 -0.41 0.41 -0.55 -5.00 118.70 110.83 2k9f s GLU 71 Ca 0.00 -0.25 -0.20 0.00 -0.41 0.00 0.00 54.97 54.11 2k9f s GLU 71 Cb 0.00 -1.74 -0.04 0.00 -1.78 0.00 0.00 34.13 30.56 2k9f s GLU 71 CO 0.00 -2.94 1.27 0.15 -0.49 0.00 0.00 175.26 173.26 2k9f s LYS 72 N -5.68 3.08 0.62 1.61 -0.14 -1.26 -3.86 119.74 114.12 2k9f s LYS 72 Ca 0.72 2.01 -0.14 0.00 -1.36 0.00 0.00 55.97 57.20 2k9f s LYS 72 Cb -0.07 -2.11 -0.02 0.00 -1.68 0.00 0.00 37.83 33.95 2k9f s LYS 72 CO 0.54 -1.17 1.05 0.21 -0.76 0.00 0.00 175.35 175.23 2k9f s LYS 73 N -3.08 3.22 0.45 1.68 2.36 -1.26 -1.16 119.74 121.95 2k9f s LYS 73 Ca 0.74 1.11 -0.24 0.00 -2.55 0.00 0.00 55.97 55.03 2k9f s LYS 73 Cb -0.35 -2.02 -0.09 0.00 -1.05 0.00 0.00 37.83 34.31 2k9f s LYS 73 CO 0.40 -0.88 1.17 -3.47 1.55 0.00 0.00 175.35 174.12 2k9f n ASP 74 N -2.36 2.00 0.00 1.43 2.03 -1.26 -1.17 116.55 117.22 2k9f n ASP 74 Ca 0.08 1.05 0.00 0.00 0.52 0.00 0.00 54.79 56.44 2k9f n ASP 74 Cb 0.53 -1.45 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 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 0.97 2.06 0.22 0.27 0.00 -1.26 -4.58 105.19 102.87 2k9f n GLY 75 Ca 0.08 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 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 0.77 -0.21 1.61 1.82 -1.84 -2.63 116.42 115.94 2k9f h ASP 76 Ca 0.00 -0.43 0.00 0.00 -0.39 0.00 0.00 57.03 56.21 2k9f h ASP 76 Cb 0.00 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 39.79 2k9f h ASP 76 CO 0.00 1.04 0.14 0.15 -1.61 0.00 0.00 179.24 178.96 2k9f h PHE 77 N 0.51 0.27 0.00 0.28 3.57 -1.39 -2.14 116.94 118.04 2k9f h PHE 77 Ca 0.07 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 2k9f h PHE 77 Cb 0.77 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.42 2k9f h PHE 77 CO 0.06 0.18 -0.14 -0.56 -2.23 0.00 0.00 178.31 175.62 2k9f h GLN 78 N 0.28 0.00 -0.01 1.11 3.07 -1.83 -2.04 115.11 115.70 2k9f h GLN 78 Ca 0.08 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.65 2k9f h GLN 78 Cb -0.02 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.52 2k9f h GLN 78 CO -0.02 0.14 -0.76 0.87 0.09 0.00 0.00 178.83 179.15 2k9f h LYS 79 N 0.00 0.06 -0.08 0.06 1.57 -1.02 -2.60 116.57 114.57 2k9f h LYS 79 Ca -0.00 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2k9f h LYS 79 Cb 0.44 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 2k9f h LYS 79 CO 0.02 0.80 0.01 2.35 -0.57 0.00 0.00 179.45 182.05 2k9f h TRP 80 N 0.04 0.14 -0.29 -1.35 2.91 -0.76 -2.68 115.95 113.96 2k9f h TRP 80 Ca -0.02 -0.02 -0.03 0.00 1.13 0.00 0.00 58.89 59.95 2k9f h TRP 80 Cb 1.35 -0.04 -0.02 0.00 -0.51 0.00 0.00 29.16 29.94 2k9f h TRP 80 CO 0.01 0.37 0.03 -0.92 -1.03 0.00 0.00 178.44 176.90 2k9f h TYR 81 N -0.13 0.44 0.00 2.65 3.20 -1.55 -0.49 116.97 121.09 2k9f h TYR 81 Ca 0.02 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2k9f h TYR 81 Cb 0.31 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.45 2k9f h TYR 81 CO 0.02 0.42 0.00 0.00 -1.64 0.00 0.00 178.16 176.96 2k9f h ALA 82 N 1.62 1.00 -0.52 1.82 0.00 -1.23 -1.56 119.26 120.39 2k9f h ALA 82 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.74 2k9f h ALA 82 Cb 0.23 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.86 2k9f h ALA 82 CO 0.00 0.00 0.09 0.41 0.00 0.00 0.00 179.25 179.75 2k9f n GLY 83 N -0.52 4.84 3.44 0.00 0.00 -0.20 -4.98 105.19 107.77 2k9f n GLY 83 Ca -0.01 -1.22 -0.22 0.00 0.00 0.00 0.00 46.02 44.57 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 -3.28 1.95 0.00 0.99 1.43 -0.59 -5.04 118.68 114.15 2k9f s LEU 84 Ca 0.48 -1.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.06 2k9f s LEU 84 Cb 0.43 -0.13 0.00 0.00 0.03 0.00 0.00 46.19 46.52 2k9f s LEU 84 CO 0.02 -0.80 0.00 -3.20 0.23 0.00 0.00 176.35 172.61 2k9f n ASN 85 N -0.94 0.00 -2.82 2.29 5.15 -1.26 -4.84 115.26 112.84 2k9f n ASN 85 Ca -0.03 -0.58 -0.02 0.00 -0.60 0.00 0.00 54.58 53.35 2k9f n ASN 85 Cb 0.66 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.92 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 -0.78 -2.39 0.94 1.20 4.01 -1.26 -4.89 117.16 113.99 2k9f n TYR 86 Ca 0.00 0.90 -0.00 0.00 -0.16 0.00 0.00 57.90 58.64 2k9f n TYR 86 Cb 0.00 -3.70 0.01 0.00 -0.31 0.00 0.00 39.34 35.34 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 -1.89 1.09 -0.06 -0.72 -0.04 -1.26 -3.01 135.00 129.10 2k9f n PRO 87 Ca -0.01 -0.09 0.03 0.00 -0.04 0.00 0.00 63.50 63.38 2k9f n PRO 87 Cb 0.52 -1.34 0.04 0.00 -0.04 0.00 0.00 33.50 32.68 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 0.18 1.89 -3.22 0.54 4.76 -1.26 -5.01 118.16 116.05 2k9f n LYS 88 Ca 0.01 -1.66 -0.40 0.00 -2.87 0.00 0.00 58.31 53.39 2k9f n LYS 88 Cb 0.38 -1.05 -0.07 0.00 -1.84 0.00 0.00 35.03 32.44 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 -1.36 4.10 -1.31 -0.35 1.43 -1.17 -4.97 118.68 115.06 2k9f s LEU 89 Ca 0.09 0.44 -0.15 0.00 -1.03 0.00 0.00 54.13 53.48 2k9f s LEU 89 Cb 0.08 -2.68 -0.01 0.00 0.03 0.00 0.00 46.19 43.61 2k9f s LEU 89 CO 0.01 -0.34 2.21 -2.65 0.23 0.00 0.00 176.35 175.81 2k9f n PRO 90 N 5.62 2.60 -2.62 1.29 -0.02 -1.26 -4.93 135.00 135.68 2k9f n PRO 90 Ca -0.04 -2.38 -0.43 0.00 -2.02 0.00 0.00 63.50 58.63 2k9f n PRO 90 Cb 0.49 -3.16 -0.02 0.00 -0.02 0.00 0.00 33.50 30.80 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 3.52 4.46 0.05 -1.45 1.01 -1.24 -1.52 120.40 125.22 2k9f s VAL 91 Ca 0.51 1.67 -0.03 0.00 0.00 0.00 0.00 61.98 64.13 2k9f s VAL 91 Cb 0.14 -4.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 2k9f s VAL 91 CO -0.04 -0.52 0.24 -0.69 0.00 0.00 0.00 175.10 174.09 2k9f s VAL 92 N 3.76 5.35 -0.47 2.92 1.01 0.19 0.11 120.40 133.27 2k9f s VAL 92 Ca 0.46 -0.17 -0.11 0.00 0.00 0.00 0.00 61.98 62.16 2k9f s VAL 92 Cb -0.12 -3.60 0.11 0.00 0.00 0.00 0.00 36.38 32.77 2k9f s VAL 92 CO 0.17 0.21 0.35 -0.89 0.00 0.00 0.00 175.10 174.94 2k9f s THR 93 N -1.45 4.48 -1.00 3.92 2.01 -0.11 -2.46 115.64 121.03 2k9f s THR 93 Ca 0.33 -1.57 -0.20 0.00 0.31 0.00 0.00 61.69 60.56 2k9f s THR 93 Cb -0.13 -3.85 0.11 0.00 0.01 0.00 0.00 72.50 68.64 2k9f s THR 93 CO 0.23 -0.70 1.28 -0.62 -0.69 0.00 0.00 174.62 174.12 2k9f s ASP 94 N 2.68 6.64 -0.36 3.53 2.15 -0.15 -4.40 116.67 126.75 2k9f s ASP 94 Ca 0.04 -1.97 -0.28 0.00 0.43 0.00 0.00 52.55 50.78 2k9f s ASP 94 Cb -0.26 -2.46 -0.04 0.00 -0.30 0.00 0.00 42.92 39.87 2k9f s ASP 94 CO 0.01 -1.18 2.04 0.21 -0.17 0.00 0.00 175.17 176.08 2k9f s ASN 95 N 4.00 5.43 0.00 -0.34 3.84 -1.26 -1.59 114.94 125.03 2k9f s ASN 95 Ca 0.39 1.31 0.00 0.00 0.21 0.00 0.00 52.86 54.77 2k9f s ASN 95 Cb -0.03 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.16 2k9f s ASN 95 CO -0.08 -2.07 0.00 0.61 -2.79 0.00 0.00 177.10 172.77 2k9f n GLY 96 N 5.66 0.71 2.72 1.21 0.00 -1.25 -4.37 105.19 109.87 2k9f n GLY 96 Ca 0.27 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.35 0.20 -0.02 0.00 -0.62 -4.83 105.19 97.56 2k9f n GLY 97 Ca 0.00 0.15 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.02 1.18 0.23 2.61 2.02 -1.79 0.49 112.91 116.63 2k9f h THR 98 Ca -0.42 -0.49 -0.33 0.00 0.77 0.00 0.00 66.41 65.94 2k9f h THR 98 Cb 1.23 0.70 0.03 0.00 -1.74 0.00 0.00 68.15 68.37 2k9f h THR 98 CO 0.33 0.19 -1.47 0.40 0.37 0.00 0.00 175.52 175.34 2k9f h ILE 99 N 0.56 1.29 -0.63 3.11 1.08 -1.94 -2.71 117.51 118.28 2k9f h ILE 99 Ca 0.15 -2.75 0.02 0.00 -0.39 0.00 0.00 64.86 61.89 2k9f h ILE 99 Cb 0.11 3.01 -0.04 0.00 -3.07 0.00 0.00 36.82 36.83 2k9f h ILE 99 CO -0.02 0.83 0.40 0.00 -0.69 0.00 0.00 178.15 178.67 2k9f h ALA 100 N 0.22 0.80 -0.03 1.87 0.00 -1.91 -1.04 119.26 119.17 2k9f h ALA 100 Ca -0.25 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.41 2k9f h ALA 100 Cb 2.14 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.71 2k9f h ALA 100 CO 0.26 0.18 -0.90 0.37 0.00 0.00 0.00 179.25 179.16 2k9f h GLN 101 N 0.80 0.49 -0.31 0.00 4.15 -1.00 0.19 115.11 119.43 2k9f h GLN 101 Ca 0.24 -0.49 -0.07 0.00 0.77 0.00 0.00 58.65 59.10 2k9f h GLN 101 Cb -0.04 0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 2k9f h GLN 101 CO -0.08 1.13 -0.10 0.77 -1.93 0.00 0.00 178.83 178.62 2k9f h SER 102 N 0.30 0.50 -0.39 -0.69 0.02 -1.15 -2.62 113.55 109.53 2k9f h SER 102 Ca -0.07 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2k9f h SER 102 Cb 1.53 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.93 2k9f h SER 102 CO 0.16 0.65 0.00 0.18 -1.14 0.00 0.00 176.83 176.68 2k9f n LEU 103 N -4.21 3.41 -3.33 5.07 4.77 -0.42 -5.00 117.00 117.28 2k9f n LEU 103 Ca 0.01 -1.53 -0.10 0.00 -0.03 0.00 0.00 56.01 54.36 2k9f n LEU 103 Cb 0.31 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2k9f n LEU 103 CO 0.40 0.74 0.13 -3.20 -1.33 0.00 0.00 177.39 174.13 2k9f n ASN 104 N 1.42 -6.71 -4.45 -1.43 5.15 -0.69 -4.97 115.26 103.59 2k9f n ASN 104 Ca 0.19 -0.42 -0.39 0.00 -0.60 0.00 0.00 54.58 53.36 2k9f n ASN 104 Cb 0.59 -4.02 -0.11 0.00 -0.53 0.00 0.00 39.78 35.70 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 -3.02 4.73 -0.11 -1.44 1.01 0.58 -4.92 121.20 118.03 2k9f s ILE 105 Ca 0.02 -0.43 0.17 0.00 0.00 0.00 0.00 60.65 60.41 2k9f s ILE 105 Cb -0.01 -3.44 0.26 0.00 0.01 0.00 0.00 42.46 39.28 2k9f s ILE 105 CO 0.80 0.02 1.13 -1.54 0.00 0.00 0.00 174.94 175.35 2k9f n SER 106 N 5.01 2.17 -3.55 3.58 3.41 -1.26 -4.85 113.62 118.13 2k9f n SER 106 Ca -0.13 -2.96 -0.15 0.00 -0.26 0.00 0.00 58.87 55.37 2k9f n SER 106 Cb 0.49 -0.39 -0.06 0.00 -0.26 0.00 0.00 64.21 63.99 2k9f n SER 106 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2k9f s VAL 107 N -2.59 0.00 0.23 -3.33 0.11 -1.26 -5.17 120.40 108.38 2k9f s VAL 107 Ca 0.28 0.00 0.11 0.00 -2.93 0.00 0.00 61.98 59.44 2k9f s VAL 107 Cb 0.25 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 34.05 2k9f s VAL 107 CO 0.03 0.00 -0.15 -0.31 -3.33 0.00 0.00 175.10 171.34 2k9f s TYR 108 N -1.12 2.45 0.13 1.54 2.02 -1.26 -4.27 117.35 116.85 2k9f s TYR 108 Ca -0.07 -0.29 -0.13 0.00 -0.37 0.00 0.00 57.07 56.21 2k9f s TYR 108 Cb -0.00 -1.15 -0.07 0.00 -0.40 0.00 0.00 41.96 40.34 2k9f s TYR 108 CO 0.06 0.58 0.52 -1.25 -1.57 0.00 0.00 175.55 173.89 2k9f s PRO 109 N -3.11 3.93 -0.15 -1.71 0.05 -1.26 -4.80 135.00 127.96 2k9f s PRO 109 Ca 0.26 0.42 -0.03 0.00 0.05 0.00 0.00 61.00 61.70 2k9f s PRO 109 Cb -0.07 -2.95 -0.02 0.00 0.05 0.00 0.00 34.50 31.51 2k9f s PRO 109 CO 0.14 0.50 -0.05 -1.12 0.05 0.00 0.00 177.00 176.52 2k9f s SER 110 N -1.72 4.63 -0.39 6.66 0.01 -1.14 -2.42 113.70 119.33 2k9f s SER 110 Ca 0.37 -0.18 -0.08 0.00 1.31 0.00 0.00 55.95 57.37 2k9f s SER 110 Cb -0.15 -1.75 0.06 0.00 0.21 0.00 0.00 66.02 64.39 2k9f s SER 110 CO 0.19 0.16 0.20 0.26 0.41 0.00 0.00 173.24 174.46 2k9f s TRP 111 N 0.40 3.31 -0.32 2.43 0.52 0.16 -0.44 118.94 125.00 2k9f s TRP 111 Ca -0.05 -1.45 -0.15 0.00 0.02 0.00 0.00 56.10 54.47 2k9f s TRP 111 Cb -0.15 -2.68 -0.02 0.00 -1.15 0.00 0.00 33.47 29.48 2k9f s TRP 111 CO 0.03 -0.79 0.35 0.00 0.02 0.00 0.00 176.95 176.57 2k9f s ALA 112 N 1.43 3.51 -0.47 0.98 0.00 0.15 -0.71 121.76 126.64 2k9f s ALA 112 Ca 0.02 -1.11 -0.19 0.00 0.00 0.00 0.00 51.96 50.68 2k9f s ALA 112 Cb -0.21 -2.77 0.04 0.00 0.00 0.00 0.00 23.12 20.19 2k9f s ALA 112 CO 0.03 -0.93 0.58 -1.17 0.00 0.00 0.00 175.76 174.27 2k9f s LEU 113 N 2.01 4.88 -0.18 0.00 2.96 0.83 -0.62 118.68 128.56 2k9f s LEU 113 Ca 0.12 -0.76 -0.16 0.00 -0.22 0.00 0.00 54.13 53.11 2k9f s LEU 113 Cb -0.16 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.01 2k9f s LEU 113 CO 0.11 -0.79 0.39 -0.63 -1.32 0.00 0.00 176.35 174.11 2k9f s ILE 114 N 2.52 5.22 0.96 6.68 1.09 0.12 -0.30 121.20 137.50 2k9f s ILE 114 Ca 0.15 0.72 -0.12 0.00 -1.10 0.00 0.00 60.65 60.30 2k9f s ILE 114 Cb -0.18 -3.72 0.17 0.00 -1.06 0.00 0.00 42.46 37.67 2k9f s ILE 114 CO 0.13 0.30 1.09 -0.83 -0.10 0.00 0.00 174.94 175.53 2k9f s GLY 115 N 0.83 1.61 0.00 6.18 0.00 0.87 -1.68 107.32 115.13 2k9f s GLY 115 Ca 0.20 0.01 0.02 0.00 0.00 0.00 0.00 44.72 44.95 2k9f s GLY 115 CO 0.07 0.55 0.57 0.58 0.00 0.00 0.00 173.10 174.88 2k9f n LYS 116 N -4.19 0.48 -0.01 2.90 2.85 -1.26 -1.62 118.16 117.31 2k9f n LYS 116 Ca 0.07 0.00 0.09 0.00 -1.05 0.00 0.00 58.31 57.42 2k9f n LYS 116 Cb 0.55 -1.05 -0.14 0.00 -0.65 0.00 0.00 35.03 33.74 2k9f n LYS 116 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2k9f n ASP 117 N -0.55 0.98 0.00 -5.58 2.03 -1.26 -4.57 116.55 107.60 2k9f n ASP 117 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 2k9f n ASP 117 Cb 0.01 1.80 0.00 0.00 -0.72 0.00 0.00 41.12 42.21 2k9f n ASP 117 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k9f n GLY 118 N 1.50 0.70 3.55 0.27 0.00 -0.64 -5.13 105.19 105.44 2k9f n GLY 118 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.34 -0.18 -0.37 1.61 -4.77 -1.26 -4.97 116.67 105.39 2k9f s ASP 119 Ca 0.00 -0.66 -0.29 0.00 -3.30 0.00 0.00 52.55 48.30 2k9f s ASP 119 Cb 0.00 0.58 0.00 0.00 -1.09 0.00 0.00 42.92 42.41 2k9f s ASP 119 CO 0.00 -1.09 1.41 -0.69 0.70 0.00 0.00 175.17 175.50 2k9f s VAL 120 N -3.93 3.94 -0.14 2.11 1.01 -1.26 -0.09 120.40 122.03 2k9f s VAL 120 Ca 0.14 0.99 0.04 0.00 0.00 0.00 0.00 61.98 63.15 2k9f s VAL 120 Cb -0.01 -4.15 -0.23 0.00 0.00 0.00 0.00 36.38 31.99 2k9f s VAL 120 CO 0.02 -0.65 0.27 1.67 0.00 0.00 0.00 175.10 176.41 2k9f n GLN 121 N 7.87 0.69 -3.55 2.72 7.27 0.59 -4.85 117.38 128.13 2k9f n GLN 121 Ca 0.16 0.21 -0.15 0.00 0.07 0.00 0.00 57.00 57.29 2k9f n GLN 121 Cb 0.47 -1.66 -0.05 0.00 2.41 0.00 0.00 30.24 31.41 2k9f n GLN 121 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 2k9f s ARG 122 N -2.55 1.05 -0.06 3.69 6.06 -0.76 -5.02 118.95 121.37 2k9f s ARG 122 Ca -0.19 -0.11 -0.01 0.00 -2.50 0.00 0.00 55.73 52.92 2k9f s ARG 122 Cb 0.07 0.49 0.03 0.00 0.06 0.00 0.00 34.95 35.60 2k9f s ARG 122 CO 0.76 -0.37 0.02 -1.50 -2.50 0.00 0.00 175.30 171.70 2k9f s ILE 123 N -2.17 0.23 -0.19 4.11 1.10 -1.26 -0.12 121.20 122.90 2k9f s ILE 123 Ca -0.07 0.19 -0.00 0.00 -0.51 0.00 0.00 60.65 60.26 2k9f s ILE 123 Cb -0.01 -0.40 0.01 0.00 0.15 0.00 0.00 42.46 42.21 2k9f s ILE 123 CO 0.01 0.22 -0.15 -0.69 -2.11 0.00 0.00 174.94 172.22 2k9f s VAL 124 N 1.87 2.46 -0.24 4.00 1.01 0.11 -5.00 120.40 124.61 2k9f s VAL 124 Ca 0.03 -0.80 -0.00 0.00 0.00 0.00 0.00 61.98 61.20 2k9f s VAL 124 Cb -0.12 -2.07 0.03 0.00 0.00 0.00 0.00 36.38 34.22 2k9f s VAL 124 CO -0.04 0.50 -0.10 -0.54 0.00 0.00 0.00 175.10 174.93 2k9f s LYS 125 N 1.33 2.73 0.00 2.72 1.02 -1.26 0.36 119.74 126.65 2k9f s LYS 125 Ca 0.05 -1.03 0.00 0.00 0.02 0.00 0.00 55.97 55.01 2k9f s LYS 125 Cb -0.13 -2.89 0.00 0.00 -0.52 0.00 0.00 37.83 34.29 2k9f s LYS 125 CO -0.10 -0.40 0.00 0.41 -0.92 0.00 0.00 175.35 174.34 2k9f n GLY 126 N 4.61 -0.64 3.59 -3.33 0.00 -1.02 -5.04 105.19 103.37 2k9f n GLY 126 Ca -0.17 0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 2k9f n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k9f s SER 127 N -4.00 -0.44 0.46 1.61 0.01 -1.26 -3.98 113.70 106.10 2k9f s SER 127 Ca 0.00 0.62 0.03 0.00 1.31 0.00 0.00 55.95 57.91 2k9f s SER 127 Cb 0.00 0.55 -0.01 0.00 0.21 0.00 0.00 66.02 66.77 2k9f s SER 127 CO 0.00 -0.31 0.10 0.27 0.41 0.00 0.00 173.24 173.71 2k9f s ILE 128 N -0.65 0.64 0.23 1.44 -4.36 -1.26 -5.12 121.20 112.12 2k9f s ILE 128 Ca -0.01 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.35 2k9f s ILE 128 Cb -0.02 -2.18 -0.03 0.00 1.25 0.00 0.00 42.46 41.48 2k9f s ILE 128 CO 0.00 0.00 0.24 0.54 0.24 0.00 0.00 174.94 175.96 2k9f s ASN 129 N -3.72 0.32 0.17 4.36 2.20 -1.26 -5.05 114.94 111.96 2k9f s ASN 129 Ca 0.15 -1.34 -0.14 0.00 -0.94 0.00 0.00 52.86 50.59 2k9f s ASN 129 Cb 0.01 0.46 0.05 0.00 -2.00 0.00 0.00 41.25 39.77 2k9f s ASN 129 CO 0.11 -0.96 1.79 -0.08 -2.94 0.00 0.00 177.10 175.02 2k9f h GLU 130 N 2.46 0.71 -0.68 3.55 4.81 -2.02 -0.60 114.58 122.81 2k9f h GLU 130 Ca -0.32 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 58.84 2k9f h GLU 130 Cb 1.25 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 2k9f h GLU 130 CO 0.47 0.53 0.44 0.00 -0.73 0.00 0.00 179.01 179.72 2k9f h ALA 131 N 1.14 0.86 -0.73 2.92 0.00 -1.99 -0.54 119.26 120.92 2k9f h ALA 131 Ca 0.18 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2k9f h ALA 131 Cb 0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2k9f h ALA 131 CO -0.03 0.29 0.25 0.37 0.00 0.00 0.00 179.25 180.13 2k9f h GLN 132 N 0.92 1.11 -0.47 0.00 4.15 -1.85 -0.25 115.11 118.71 2k9f h GLN 132 Ca 0.25 -0.22 -0.04 0.00 0.77 0.00 0.00 58.65 59.41 2k9f h GLN 132 Cb -0.10 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.40 2k9f h GLN 132 CO -0.05 0.93 0.15 0.00 -1.93 0.00 0.00 178.83 177.92 2k9f h ALA 133 N 1.20 0.61 -0.43 3.38 0.00 -0.45 0.16 119.26 123.73 2k9f h ALA 133 Ca 0.24 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2k9f h ALA 133 Cb 0.26 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2k9f h ALA 133 CO -0.01 0.26 -0.07 -0.07 0.00 0.00 0.00 179.25 179.36 2k9f h LEU 134 N 0.62 0.71 -0.55 0.00 3.38 -0.80 -2.05 115.31 116.62 2k9f h LEU 134 Ca 0.15 -0.19 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 2k9f h LEU 134 Cb 0.27 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2k9f h LEU 134 CO -0.01 0.83 -0.58 0.00 0.09 0.00 0.00 178.44 178.77 2k9f h ALA 135 N 1.25 0.74 -0.47 1.53 0.00 -0.72 -2.65 119.26 118.94 2k9f h ALA 135 Ca 0.12 -0.53 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 2k9f h ALA 135 Cb 0.51 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2k9f h ALA 135 CO 0.03 0.70 0.01 1.25 0.00 0.00 0.00 179.25 181.24 2k9f h LEU 136 N 0.34 0.80 -0.03 0.00 5.85 -0.35 0.41 115.31 122.33 2k9f h LEU 136 Ca -0.00 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.42 2k9f h LEU 136 Cb 1.11 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.93 2k9f h LEU 136 CO 0.10 0.91 0.00 2.30 -0.34 0.00 0.00 178.44 181.41 2k9f n ILE 137 N -4.37 0.43 -0.10 4.05 -5.35 -0.80 -3.04 119.36 110.18 2k9f n ILE 137 Ca 0.00 0.08 -0.19 0.00 -0.27 0.00 0.00 62.75 62.37 2k9f n ILE 137 Cb 0.30 -0.71 -0.09 0.00 -1.74 0.00 0.00 39.64 37.39 2k9f n ILE 137 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 2k9f n ARG 138 N -1.58 0.55 -3.53 6.28 3.00 -0.86 -4.91 116.66 115.61 2k9f n ARG 138 Ca 0.05 0.52 -0.21 0.00 -0.00 0.00 0.00 57.85 58.22 2k9f n ARG 138 Cb 0.28 -1.70 -0.14 0.00 0.00 0.00 0.00 32.46 30.90 2k9f n ARG 138 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2k9f s ASP 139 N -6.70 1.65 0.00 6.15 2.15 0.14 -5.01 116.67 115.06 2k9f s ASP 139 Ca -0.27 -0.33 0.10 0.00 0.43 0.00 0.00 52.55 52.47 2k9f s ASP 139 Cb 0.06 0.20 0.46 0.00 -0.30 0.00 0.00 42.92 43.34 2k9f s ASP 139 CO 0.51 -0.33 1.24 -0.81 -0.17 0.00 0.00 175.17 175.60 2k9f n PRO 140 N 5.31 0.09 -0.06 4.34 -0.04 -1.17 -1.63 135.00 141.84 2k9f n PRO 140 Ca -0.06 0.24 0.09 0.00 -0.04 0.00 0.00 63.50 63.74 2k9f n PRO 140 Cb 0.49 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.85 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 -1.36 1.19 -4.50 3.54 3.02 -1.26 -4.75 115.26 111.14 2k9f n ASN 141 Ca 0.04 -1.66 -0.43 0.00 -0.03 0.00 0.00 54.58 52.49 2k9f n ASN 141 Cb 0.09 -0.08 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 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 -1.83 3.38 -0.02 5.41 0.00 -0.64 -5.05 121.76 123.00 2k9f s ALA 142 Ca 0.29 -1.39 0.05 0.00 0.00 0.00 0.00 51.96 50.92 2k9f s ALA 142 Cb 0.15 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 20.02 2k9f s ALA 142 CO 0.23 -1.75 -0.17 0.34 0.00 0.00 0.00 175.76 174.42 2k9f s ASP 143 N 2.03 3.85 0.00 0.00 -1.08 -1.26 -4.79 116.67 115.41 2k9f s ASP 143 Ca 0.18 -0.29 0.00 0.00 -0.52 0.00 0.00 52.55 51.92 2k9f s ASP 143 Cb -0.16 -0.72 0.00 0.00 -1.46 0.00 0.00 42.92 40.58 2k9f s ASP 143 CO 0.16 0.32 0.00 0.00 0.52 0.00 0.00 175.17 176.17